2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 4552-4255 |
Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
Molecular Weight: | 384.88 |
Molecular Formula: | C20 H17 Cl N2 O2 S |
Smiles: | COc1ccccc1C1CC(NC(=C1C#N)SCc1ccccc1[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3679 |
logD: | 4.3443 |
logSw: | -4.3747 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.546 |
InChI Key: | PIAKZHUIQRHPSN-OAHLLOKOSA-N |