5-acetyl-4-(2-chlorophenyl)-2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-4-(2-chlorophenyl)-2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile
5-acetyl-4-(2-chlorophenyl)-2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 2636-0048 |
Compound Name: | 5-acetyl-4-(2-chlorophenyl)-2-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-methyl-1,4-dihydropyridine-3-carbonitrile |
Molecular Weight: | 450.99 |
Molecular Formula: | C25 H23 Cl N2 O2 S |
Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(C)c(C)c1)=O)c1ccccc1[Cl])C(C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.7934 |
logD: | 3.8729 |
logSw: | -5.9716 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.904 |
InChI Key: | WINOFFLWRVCWKS-XMMPIXPASA-N |