5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
Compound ID: | 3012-0077 |
Compound Name: | 5-acetyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile |
Molecular Weight: | 412.89 |
Molecular Formula: | C21 H17 Cl N2 O3 S |
Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(cc1)[Cl])=O)c1ccco1)C(C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6376 |
logD: | 1.4041 |
logSw: | -4.3039 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.482 |
InChI Key: | WXLWJWKUOICBOB-HXUWFJFHSA-N |