3-(2-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(2-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(2-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1618 |
| Compound Name: | 3-(2-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C17 H10 N4 O3 |
| Smiles: | C(=C(C#N)/C1NC(c2ccccc2N=1)=O)\c1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1941 |
| logD: | 0.6832 |
| logSw: | -3.0614 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.028 |
| InChI Key: | QXMNLNCDGQSJMA-UHFFFAOYSA-N |