(17Z)-1-ETHYL-1,4-DIHYDRO-7-METHYL-N'-(2-METHYL-5-(PROP-1-EN-2-YL)CYCLOHEX-2-ENYLIDENE)-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOHYDRAZIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
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 FQGNQHXQLCUGSZ-CLCOLTQESA-N
Smiles CCN1C=C(C(=O)N\N=C/2\CC(CC=C2C)C(=C)C)C(=O)c3ccc(C)nc13
InChI
InChI=1S/C22H26N4O2/c1-6-26-12-18(20(27)17-10-8-15(5)23-21(17)26)22(28)25-24-19-11-16(13(2)3)9-7-14(19)4/h7-8,10,12,16H,2,6,9,11H2,1,3-5H3,(H,25,28)/b24-19-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26N4O2
Molecular Weight 378.47
AlogP 3.31
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 74.66
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL2298766
PubChem 76320586
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