3-(4-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(4-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(4-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1616 |
| Compound Name: | 3-(4-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)\c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4433 |
| logD: | 1.0974 |
| logSw: | -3.1229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.329 |
| InChI Key: | XGYAMPGNUJRVLX-UHFFFAOYSA-N |