2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2293-3123 |
| Compound Name: | 2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 354.86 |
| Molecular Formula: | C19 H15 Cl N2 O S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCc1ccccc1)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8225 |
| logD: | 3.7885 |
| logSw: | -4.7732 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.916 |
| InChI Key: | VCSMZMACBQOFBA-INIZCTEOSA-N |