(Z)-METHYL-N-2-((E)-(5,6-DIHYDRO-1,4,2-DIOXAZIN-3-YL)(METHOXYIMINO)METHYL)BENZYLOXY-3,5-BIS(TRIFLUOROMETHYL)BENZIMIDATE

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key DXFRYGMDMHJRHR-RBMQLNKQSA-N
Smiles CO\N=C(\C1=NOCCO1)/c2ccccc2CO\N=C(/OC)\c3cc(cc(c3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H19F6N3O5/c1-32-19(14-9-15(21(23,24)25)11-16(10-14)22(26,27)28)30-36-12-13-5-3-4-6-17(13)18(29-33-2)20-31-35-8-7-34-20/h3-6,9-11H,7-8,12H2,1-2H3/b29-18+,30-19-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19F6N3O5
Molecular Weight 519.39
AlogP 5.03
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 10.0
Polar Surface Area 83.23
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 36.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Podosphaera fuliginea infected cucumber plants exposed to compound treatment 1 day post infection assessed as disease curative activity measured after 1 or 2 weeks Podosphaera fuliginea 1.5 mg/L Fungicidal activity against Podosphaera fuliginea infected cucumber plants exposed to compound treatment 1 day post infection assessed as disease curative activity measured after 1 or 2 weeks Podosphaera fuliginea 0.8 ug.mL-1
Fungicidal activity against Podosphaera fuliginea infected cucumber plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 0.78 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 60.0 %
Fungicidal activity against Podosphaera fuliginea infected cucumber plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 1.56 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 80.0 %
Fungicidal activity against Podosphaera fuliginea infected cucumber plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 3.12 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 100.0 %
Fungicidal activity against Podosphaera fuliginea infected cucumber plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 6.25 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 100.0 %
Fungicidal activity against Blumeria graminis infected wheat plants exposed to compound treatment 1 day post infection assessed as disease curative activity measured after 1 or 2 weeks Blumeria graminis 2.4 mg/L Fungicidal activity against Blumeria graminis infected wheat plants exposed to compound treatment 1 day post infection assessed as disease curative activity measured after 1 or 2 weeks Blumeria graminis 1.0 ug.mL-1
Fungicidal activity against Blumeria graminis infected wheat plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 1.56 mg/L measured after 1 or 2 weeks Blumeria graminis 70.0 %
Fungicidal activity against Blumeria graminis infected wheat plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 0.78 mg/L measured after 1 or 2 weeks Blumeria graminis 35.0 %
Fungicidal activity against Blumeria graminis infected wheat plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 3.12 mg/L measured after 1 or 2 weeks Blumeria graminis 90.0 %
Fungicidal activity against Blumeria graminis infected wheat plants exposed to compound treatment 1 day post infection assessed as disease curative activity at 6.25 mg/L measured after 1 or 2 weeks Blumeria graminis 100.0 %
Fungicidal activity against Podosphaera fuliginea infected compound pre-treated cucumber plants assessed as disease preventive activity at 0.78 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 55.0 %
Fungicidal activity against Podosphaera fuliginea infected compound pre-treated cucumber plants assessed as disease preventive activity at measured after 1 or 2 weeks Podosphaera fuliginea 1.6 mg/L Fungicidal activity against Podosphaera fuliginea infected compound pre-treated cucumber plants assessed as disease preventive activity at measured after 1 or 2 weeks Podosphaera fuliginea 0.8 ug.mL-1
Fungicidal activity against Podosphaera fuliginea infected compound pre-treated cucumber plants assessed as disease preventive activity at 1.56 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 75.0 %
Fungicidal activity against Podosphaera fuliginea infected compound pre-treated cucumber plants assessed as disease preventive activity at 3.12 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 100.0 %
Fungicidal activity against Podosphaera fuliginea infected compound pre-treated cucumber plants assessed as disease preventive activity at 6.25 mg/L measured after 1 or 2 weeks Podosphaera fuliginea 100.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity measured after 1 or 2 weeks Blumeria graminis 2.0 mg/L Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity measured after 1 or 2 weeks Blumeria graminis 0.9 ug.mL-1
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 0.78 mg/L measured after 1 or 2 weeks Blumeria graminis 30.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 1.56 mg/L measured after 1 or 2 weeks Blumeria graminis 75.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 3.12 mg/L measured after 1 or 2 weeks Blumeria graminis 98.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 6.25 mg/L measured after 1 or 2 weeks Blumeria graminis 100.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 1.5 ppm measured after 1 or 2 weeks Blumeria graminis 95.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 3.1 ppm measured after 1 or 2 weeks Blumeria graminis 96.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 6.2 ppm measured after 1 or 2 weeks Blumeria graminis 100.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 500 ppm measured after 1 or 2 weeks Blumeria graminis 100.0 %
Fungicidal activity against Blumeria graminis infected compound pre-treated wheat plants assessed as disease preventive activity at 100 ppm measured after 1 or 2 weeks Blumeria graminis 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2253156
PubChem 25023683
CONTENTS