3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate
Compound characteristics
| Compound ID: | 3643-2295 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl butanoate |
| Molecular Weight: | 436.38 |
| Molecular Formula: | C22 H19 F3 O6 |
| Smiles: | CCCC(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4263 |
| logD: | 4.4263 |
| logSw: | -4.4786 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.593 |
| InChI Key: | INPMRSGEMQEVNX-UHFFFAOYSA-N |