5-acetyl-4-(2-chlorophenyl)-6-methyl-2-(methylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-4-(2-chlorophenyl)-6-methyl-2-(methylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
5-acetyl-4-(2-chlorophenyl)-6-methyl-2-(methylsulfanyl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-2582 |
| Compound Name: | 5-acetyl-4-(2-chlorophenyl)-6-methyl-2-(methylsulfanyl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 318.82 |
| Molecular Formula: | C16 H15 Cl N2 O S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SC)c1ccccc1[Cl])C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5608 |
| logD: | 1.0341 |
| logSw: | -3.8796 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.929 |
| InChI Key: | XLJHVGDWIFKZAW-OAHLLOKOSA-N |