methyl 4-({[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | D715-0010 |
| Compound Name: | methyl 4-({[8-methyl-2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 392.33 |
| Molecular Formula: | C20 H15 F3 O5 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)C(F)(F)F)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5024 |
| logD: | 4.5024 |
| logSw: | -4.7349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.818 |
| InChI Key: | PTUBCEZQGBNKSY-UHFFFAOYSA-N |