butyl {[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
butyl {[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
butyl {[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3793-3419 |
| Compound Name: | butyl {[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 450.41 |
| Molecular Formula: | C23 H21 F3 O6 |
| Smiles: | CCCCOC(COc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5902 |
| logD: | 4.5902 |
| logSw: | -4.6762 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.86 |
| InChI Key: | KCNZYMJVFVVPHT-UHFFFAOYSA-N |