methyl 2-(benzylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-(benzylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
methyl 2-(benzylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate
Compound characteristics
| Compound ID: | G198-0656 |
| Compound Name: | methyl 2-(benzylsulfanyl)-4-{[3-(trifluoromethyl)phenyl]methoxy}quinoline-3-carboxylate |
| Molecular Weight: | 483.51 |
| Molecular Formula: | C26 H20 F3 N O3 S |
| Smiles: | COC(c1c(c2ccccc2nc1SCc1ccccc1)OCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.75 |
| logD: | 6.75 |
| logSw: | -6.153 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | YSLZNQJRXVOVDI-UHFFFAOYSA-N |