1-((6-CHLOROPYRIDIN-3-YL)METHYL)-5-(2-ETHOXYETHOXY)-8-NITRO-1,2,3,5,6,7-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE

/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 YHAGMTMCUCFGED-UHFFFAOYSA-N
Smiles CCOCCOC1CCC(=C2N(Cc3ccc(Cl)nc3)CCN12)[N+](=O)[O-]
InChI
InChI=1S/C17H23ClN4O4/c1-2-25-9-10-26-16-6-4-14(22(23)24)17-20(7-8-21(16)17)12-13-3-5-15(18)19-11-13/h3,5,11,16H,2,4,6-10,12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H23ClN4O4
Molecular Weight 382.84
AlogP 2.36
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 8.0
Polar Surface Area 83.65
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL2251239
PubChem 16115738
CONTENTS