3-(4-nitrophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
Chemical Structure Depiction of
3-(4-nitrophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
3-(4-nitrophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
Compound characteristics
| Compound ID: | 2798-1508 |
| Compound Name: | 3-(4-nitrophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile |
| Molecular Weight: | 334.29 |
| Molecular Formula: | C17 H10 N4 O4 |
| Smiles: | C(/C(=C1NC(c2ccccc2N/1)=O)C(c1ccc(cc1)[N+]([O-])=O)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 2.2507 |
| logD: | 1.7853 |
| logSw: | -3.1159 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.617 |
| InChI Key: | QEEGPIOQCNHKDZ-UHFFFAOYSA-N |