4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazoline-7-carboxylic acid
Chemical Structure Depiction of
4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazoline-7-carboxylic acid
4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazoline-7-carboxylic acid
Compound characteristics
| Compound ID: | Y044-2897 |
| Compound Name: | 4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazoline-7-carboxylic acid |
| Molecular Weight: | 334.25 |
| Molecular Formula: | C16 H9 F3 N2 O3 |
| Smiles: | C1=Nc2cc(ccc2C(N1c1cccc(c1)C(F)(F)F)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0085 |
| logD: | -0.4018 |
| logSw: | -3.4679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.301 |
| InChI Key: | HINQTJZWSHCJHR-UHFFFAOYSA-N |