3-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzoic acid
Chemical Structure Depiction of
3-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzoic acid
3-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzoic acid
Compound characteristics
| Compound ID: | K505-0382 |
| Compound Name: | 3-[4-oxo-2-{2-[3-(trifluoromethyl)phenyl]ethenyl}quinazolin-3(4H)-yl]benzoic acid |
| Molecular Weight: | 436.39 |
| Molecular Formula: | C24 H15 F3 N2 O3 |
| Smiles: | C(=C\c1cccc(c1)C(F)(F)F)\C1=Nc2ccccc2C(N1c1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9688 |
| logD: | 2.2792 |
| logSw: | -4.5613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.002 |
| InChI Key: | OWZIFACLZGQMRG-UHFFFAOYSA-N |