3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,6-dimethoxybenzoate
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,6-dimethoxybenzoate
3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,6-dimethoxybenzoate
Compound characteristics
| Compound ID: | 3992-2947 |
| Compound Name: | 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 2,6-dimethoxybenzoate |
| Molecular Weight: | 504.85 |
| Molecular Formula: | C25 H16 Cl F3 O6 |
| Smiles: | COc1cccc(c1C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(cc1)[Cl])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1553 |
| logD: | 5.1553 |
| logSw: | -5.7307 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.916 |
| InChI Key: | LBPHDCQERUNKBW-UHFFFAOYSA-N |