4-(2-chlorophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(2-chlorophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(2-chlorophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-5064 |
| Compound Name: | 4-(2-chlorophenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 278.76 |
| Molecular Formula: | C13 H11 Cl N2 O S |
| Smiles: | CSC1=C(C#N)C(CC(N1)=O)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6686 |
| logD: | 2.5643 |
| logSw: | -3.5028 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.187 |
| InChI Key: | BQZOMPIVWRTZHO-VIFPVBQESA-N |