2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-5663 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 368.88 |
| Molecular Formula: | C20 H17 Cl N2 O S |
| Smiles: | Cc1ccccc1C1CC(NC(=C1C#N)SCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3258 |
| logD: | 4.2918 |
| logSw: | -4.5782 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.916 |
| InChI Key: | JGLJQNYEVPQPKD-QGZVFWFLSA-N |