pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 4973-0079 |
| Compound Name: | pentyl {[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 494.46 |
| Molecular Formula: | C25 H25 F3 O7 |
| Smiles: | CCCCCOC(COc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9671 |
| logD: | 4.9671 |
| logSw: | -4.7176 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.491 |
| InChI Key: | IDZQVFQUOAMVEX-UHFFFAOYSA-N |