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 |