5-acetyl-4-(2-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-4-(2-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile
5-acetyl-4-(2-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0651 |
| Compound Name: | 5-acetyl-4-(2-chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 429.37 |
| Molecular Formula: | C22 H18 Cl2 N2 O S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1ccc(cc1)[Cl])c1ccccc1[Cl])C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3644 |
| logD: | 3.5189 |
| logSw: | -5.8185 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.657 |
| InChI Key: | ZTTIPLVGMQIOMD-OAQYLSRUSA-N |