methyl 2-{[(4-methylphenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-methylphenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
methyl 2-{[(4-methylphenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Compound characteristics
| Compound ID: | G198-0658 |
| Compound Name: | methyl 2-{[(4-methylphenyl)methyl]sulfanyl}-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate |
| Molecular Weight: | 497.54 |
| Molecular Formula: | C27 H22 F3 N O3 S |
| Smiles: | Cc1ccc(CSc2c(C(=O)OC)c(c3ccccc3n2)OCc2cccc(c2)C(F)(F)F)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1734 |
| logD: | 7.1734 |
| logSw: | -6.0508 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | YCSWCCDAAXDVHP-UHFFFAOYSA-N |