3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
Compound ID: | 3643-1646 |
Compound Name: | 3-(4-methoxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
Molecular Weight: | 348.32 |
Molecular Formula: | C18 H12 N4 O4 |
Smiles: | COc1ccc(/C=C(C#N)/C2NC(c3ccccc3N=2)=O)cc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.0054 |
logD: | 0.6594 |
logSw: | -2.8912 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 92.658 |
InChI Key: | BIZMJSFUEYPGPO-UHFFFAOYSA-N |