3-(4,8-dimethyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4,8-dimethyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)propanoic acid
3-(4,8-dimethyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)propanoic acid
Compound characteristics
| Compound ID: | D715-1115 |
| Compound Name: | 3-(4,8-dimethyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)propanoic acid |
| Molecular Weight: | 420.38 |
| Molecular Formula: | C22 H19 F3 O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.745 |
| logD: | 2.2488 |
| logSw: | -4.6844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.542 |
| InChI Key: | SCUNPBOMTTZWQQ-UHFFFAOYSA-N |