5-acetyl-4-(2-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-acetyl-4-(2-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile--hydrogen chloride (1/1)
5-acetyl-4-(2-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4296-0619 |
| Compound Name: | 5-acetyl-4-(2-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile--hydrogen chloride (1/1) |
| Molecular Weight: | 465.83 |
| Molecular Formula: | C22 H18 Cl2 N2 O S |
| Salt: | HCl |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1ccccc1[Cl])c1ccccc1[Cl])C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.706 |
| logD: | 4.0208 |
| logSw: | -5.8576 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.657 |
| InChI Key: | FHVXKHJEURWJGC-OAQYLSRUSA-N |