N-(butan-2-yl)-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-(butan-2-yl)-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9603 |
| Compound Name: | N-(butan-2-yl)-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 382.55 |
| Molecular Formula: | C21 H22 N2 O S2 |
| Smiles: | CCC(C)NC(c1cc(nc2ccccc12)Sc1ccccc1SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4185 |
| logD: | 5.4184 |
| logSw: | -5.5899 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.785 |
| InChI Key: | JGAZKNCCPFWSKL-AWEZNQCLSA-N |