3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 3643-2329 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 560.48 |
| Molecular Formula: | C28 H23 F3 O9 |
| Smiles: | COc1ccc(cc1OC)C1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2746 |
| logD: | 4.2746 |
| logSw: | -4.5464 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.894 |
| InChI Key: | RSXOJNCDDOWIEY-UHFFFAOYSA-N |