3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 4248-0181 |
| Compound Name: | 3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 534.87 |
| Molecular Formula: | C26 H18 Cl F3 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1175 |
| logD: | 5.1175 |
| logSw: | -5.5082 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.633 |
| InChI Key: | XWWAJPPNQXGCLT-UHFFFAOYSA-N |