N-butyl-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-butyl-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-butyl-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9093 |
| Compound Name: | N-butyl-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H19 F3 N2 O S |
| Smiles: | CCCCNC(c1cc(nc2ccccc12)Sc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2423 |
| logD: | 6.2423 |
| logSw: | -5.5916 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.185 |
| InChI Key: | OBIVKBGFPNYHIN-UHFFFAOYSA-N |