2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 4552-5135 |
Compound Name: | 2-(benzylsulfanyl)-4-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 350.44 |
Molecular Formula: | C20 H18 N2 O2 S |
Smiles: | COc1ccc(cc1)C1CC(NC(=C1C#N)SCc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2101 |
logD: | 3.1761 |
logSw: | -3.4506 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.459 |
InChI Key: | IITYCOFFWBOQOQ-QGZVFWFLSA-N |