5-acetyl-2-{[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2636-0060 |
| Compound Name: | 5-acetyl-2-{[2-(2,5-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 463.4 |
| Molecular Formula: | C21 H16 Cl2 N2 O2 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1cc(ccc1[Cl])[Cl])=O)c1cccs1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8459 |
| logD: | 2.6124 |
| logSw: | -4.9421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.922 |
| InChI Key: | IVWAOFSLMYBMSQ-HXUWFJFHSA-N |