N-[(4-methylphenyl)methyl]-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-[(4-methylphenyl)methyl]-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9600 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[2-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C25 H22 N2 O S2 |
| Smiles: | Cc1ccc(CNC(c2cc(nc3ccccc23)Sc2ccccc2SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5516 |
| logD: | 6.5516 |
| logSw: | -5.8019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.072 |
| InChI Key: | HRTMOYYYXAROMA-UHFFFAOYSA-N |