N-butyl-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-butyl-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-butyl-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9611 |
| Compound Name: | N-butyl-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 382.55 |
| Molecular Formula: | C21 H22 N2 O S2 |
| Smiles: | CCCCNC(c1cc(nc2ccccc12)Sc1ccccc1SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9407 |
| logD: | 5.9407 |
| logSw: | -5.6038 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.185 |
| InChI Key: | OIQBTSPMQMXSPD-UHFFFAOYSA-N |