methyl 4-methyl-2-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}pentanoate
Chemical Structure Depiction of
methyl 4-methyl-2-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}pentanoate
methyl 4-methyl-2-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}pentanoate
Compound characteristics
| Compound ID: | 8011-8595 |
| Compound Name: | methyl 4-methyl-2-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}pentanoate |
| Molecular Weight: | 358.31 |
| Molecular Formula: | C17 H17 F3 O5 |
| Smiles: | CC(C)CC(C(=O)OC)Oc1ccc2C(=CC(=O)Oc2c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5369 |
| logD: | 3.5369 |
| logSw: | -3.8038 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.492 |
| InChI Key: | MMJPZEQZIUAELY-AWEZNQCLSA-N |