3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 4248-0152 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methoxybenzoate |
| Molecular Weight: | 500.43 |
| Molecular Formula: | C26 H19 F3 O7 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8256 |
| logD: | 4.8256 |
| logSw: | -4.7556 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.46 |
| InChI Key: | WLNPASCXAKQRIE-UHFFFAOYSA-N |