methyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
methyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3643-2290 |
| Compound Name: | methyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 438.36 |
| Molecular Formula: | C21 H17 F3 O7 |
| Smiles: | COC(COc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0791 |
| logD: | 3.0791 |
| logSw: | -3.3357 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.617 |
| InChI Key: | FXKRWKBUVCDTDT-UHFFFAOYSA-N |