methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Compound characteristics
| Compound ID: | C201-0280 |
| Compound Name: | methyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate |
| Molecular Weight: | 517.95 |
| Molecular Formula: | C26 H19 Cl F3 N O3 S |
| Smiles: | COC(c1c(c2ccccc2nc1SCc1ccccc1[Cl])OCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6863 |
| logD: | 7.6863 |
| logSw: | -6.615 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | JTLTYPLHAUTIPD-UHFFFAOYSA-N |