benzyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
benzyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
benzyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 3793-3408 |
| Compound Name: | benzyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 498.46 |
| Molecular Formula: | C27 H21 F3 O6 |
| Smiles: | CC(C(=O)OCc1ccccc1)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3544 |
| logD: | 5.3544 |
| logSw: | -5.5039 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.555 |
| InChI Key: | ONVXEMYPZKQXOT-INIZCTEOSA-N |