3-(4-hydroxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
3-(4-hydroxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
3-(4-hydroxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3643-1637 |
| Compound Name: | 3-(4-hydroxy-3-nitrophenyl)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile |
| Molecular Weight: | 334.29 |
| Molecular Formula: | C17 H10 N4 O4 |
| Smiles: | C(=C(C#N)/C1NC(c2ccccc2N=1)=O)\c1ccc(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.3191 |
| logD: | 0.9732 |
| logSw: | -3.0326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.576 |
| InChI Key: | PYUQKLVTBIRXKR-UHFFFAOYSA-N |