3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | 3643-2293 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 408.33 |
| Molecular Formula: | C20 H15 F3 O6 |
| Smiles: | CC(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2231 |
| logD: | 3.2231 |
| logSw: | -3.5063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.29 |
| InChI Key: | PGVQVEIIFALSPK-UHFFFAOYSA-N |