4-[2-{2-[4-(dimethylamino)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid
Chemical Structure Depiction of
4-[2-{2-[4-(dimethylamino)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid
4-[2-{2-[4-(dimethylamino)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid
Compound characteristics
| Compound ID: | 3379-0198 |
| Compound Name: | 4-[2-{2-[4-(dimethylamino)phenyl]ethenyl}-4-oxoquinazolin-3(4H)-yl]benzoic acid |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C25 H21 N3 O3 |
| Smiles: | CN(C)c1ccc(\C=C/C2=Nc3ccccc3C(N2c2ccc(cc2)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.026 |
| logD: | 1.6308 |
| logSw: | -4.1497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.807 |
| InChI Key: | OWERKTVMBZKMKP-UHFFFAOYSA-N |