3-(3-bromophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
Chemical Structure Depiction of
3-(3-bromophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
3-(3-bromophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile
Compound characteristics
| Compound ID: | 3643-1562 |
| Compound Name: | 3-(3-bromophenyl)-3-oxo-2-(4-oxo-3,4-dihydroquinazolin-2(1H)-ylidene)propanenitrile |
| Molecular Weight: | 368.19 |
| Molecular Formula: | C17 H10 Br N3 O2 |
| Smiles: | C(\C(=C1NC(c2ccccc2N/1)=O)C(c1cccc(c1)[Br])=O)#N |
| Stereo: | ACHIRAL |
| logP: | 3.2264 |
| logD: | 2.761 |
| logSw: | -3.9692 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.235 |
| InChI Key: | WXLNRAANYWAIKU-UHFFFAOYSA-N |