N-(2-phenylethyl)-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-phenylethyl)-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-(2-phenylethyl)-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9099 |
| Compound Name: | N-(2-phenylethyl)-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 452.5 |
| Molecular Formula: | C25 H19 F3 N2 O S |
| Smiles: | C(CNC(c1cc(nc2ccccc12)Sc1ccccc1C(F)(F)F)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3633 |
| logD: | 6.3633 |
| logSw: | -6.2665 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.913 |
| InChI Key: | LYOCJLLBCDMCKY-UHFFFAOYSA-N |