6-(4-methylphenyl)-4-phenyl-2-{[(phenylmethanesulfinyl)methyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
6-(4-methylphenyl)-4-phenyl-2-{[(phenylmethanesulfinyl)methyl]sulfanyl}pyridine-3-carbonitrile
6-(4-methylphenyl)-4-phenyl-2-{[(phenylmethanesulfinyl)methyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0141 |
| Compound Name: | 6-(4-methylphenyl)-4-phenyl-2-{[(phenylmethanesulfinyl)methyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 454.61 |
| Molecular Formula: | C27 H22 N2 O S2 |
| Smiles: | Cc1ccc(cc1)c1cc(c2ccccc2)c(C#N)c(n1)SCS(Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8328 |
| logD: | 6.8328 |
| logSw: | -5.9331 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.271 |
| InChI Key: | KRWVATTXYYAEFB-UHFFFAOYSA-N |