methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Compound characteristics
| Compound ID: | C201-0172 |
| Compound Name: | methyl 2-{[(4-fluorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C26 H19 F4 N O3 S |
| Smiles: | COC(c1c(c2ccccc2nc1SCc1ccc(cc1)F)OCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7791 |
| logD: | 6.7791 |
| logSw: | -6.153 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | APOZIJDUYOSEJY-UHFFFAOYSA-N |