4-(2-methylphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(2-methylphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(2-methylphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 3331-3756 |
Compound Name: | 4-(2-methylphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 258.34 |
Molecular Formula: | C14 H14 N2 O S |
Smiles: | Cc1ccccc1C1CC(NC(=C1C#N)SC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.5222 |
logD: | 2.3775 |
logSw: | -2.7713 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.187 |
InChI Key: | SYNHLRVTXPNRQX-LLVKDONJSA-N |