benzyl {[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
benzyl {[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate
benzyl {[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | D715-0008 |
| Compound Name: | benzyl {[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 392.33 |
| Molecular Formula: | C20 H15 F3 O5 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)C(F)(F)F)OCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9819 |
| logD: | 3.9819 |
| logSw: | -4.49 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.179 |
| InChI Key: | ZFCNFBQZRKPLQA-UHFFFAOYSA-N |