3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | 4248-0151 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 4-methylbenzoate |
| Molecular Weight: | 484.43 |
| Molecular Formula: | C26 H19 F3 O6 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2666 |
| logD: | 5.2666 |
| logSw: | -5.3103 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.916 |
| InChI Key: | NRLMRVQNTPHEJS-UHFFFAOYSA-N |