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 |