N-[(3-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-[(3-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9268 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C25 H22 N2 O2 S2 |
| Smiles: | COc1cccc(CNC(c2cc(nc3ccccc23)Sc2cccc(c2)SC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2528 |
| logD: | 6.2528 |
| logSw: | -5.7496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.616 |
| InChI Key: | WOSSQIQSSJKEIG-UHFFFAOYSA-N |