methyl (4-methyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (4-methyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)acetate
methyl (4-methyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y040-8224 |
| Compound Name: | methyl (4-methyl-2-oxo-7-{[3-(trifluoromethyl)phenyl]methoxy}-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 406.36 |
| Molecular Formula: | C21 H17 F3 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2996 |
| logD: | 4.2996 |
| logSw: | -4.7586 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.967 |
| InChI Key: | PVNZBNCHPPIRNT-UHFFFAOYSA-N |