N-[(pyridin-2-yl)methyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(pyridin-2-yl)methyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-[(pyridin-2-yl)methyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9082 |
| Compound Name: | N-[(pyridin-2-yl)methyl]-2-{[2-(trifluoromethyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 439.46 |
| Molecular Formula: | C23 H16 F3 N3 O S |
| Smiles: | C(c1ccccn1)NC(c1cc(nc2ccccc12)Sc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.52 |
| logD: | 5.5199 |
| logSw: | -6.0763 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.615 |
| InChI Key: | KGNZRFZQQQEUGH-UHFFFAOYSA-N |