2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-1214 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 334.44 |
| Molecular Formula: | C20 H18 N2 O S |
| Smiles: | Cc1ccc(CSC2=C(C#N)C(CC(N2)=O)c2ccccc2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6554 |
| logD: | 3.6214 |
| logSw: | -3.7862 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.916 |
| InChI Key: | HEQXZLOWMXQJEZ-QGZVFWFLSA-N |