3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2-methylbenzoate
Chemical Structure Depiction of
3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2-methylbenzoate
3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2-methylbenzoate
Compound characteristics
| Compound ID: | 3130-1452 |
| Compound Name: | 3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2-methylbenzoate |
| Molecular Weight: | 454.4 |
| Molecular Formula: | C25 H17 F3 O5 |
| Smiles: | Cc1ccccc1C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5277 |
| logD: | 5.5277 |
| logSw: | -5.6304 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.286 |
| InChI Key: | PNOGQDLUHVCBMA-UHFFFAOYSA-N |