2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-(2-phenylethyl)quinoline-4-carboxamide
Chemical Structure Depiction of
2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-(2-phenylethyl)quinoline-4-carboxamide
2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-(2-phenylethyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9609 |
| Compound Name: | 2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-(2-phenylethyl)quinoline-4-carboxamide |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C25 H22 N2 O S2 |
| Smiles: | CSc1ccccc1Sc1cc(C(NCCc2ccccc2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0617 |
| logD: | 6.0617 |
| logSw: | -5.7005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.913 |
| InChI Key: | YFXMNLGNOWRBSJ-UHFFFAOYSA-N |