4-(2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetamido)benzoic acid
4-(2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | 8013-3955 |
| Compound Name: | 4-(2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C24 H20 Cl N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)C(O)=O)=O)c1ccc(cc1)[Cl])C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0765 |
| logD: | 1.6813 |
| logSw: | -4.7497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.215 |
| InChI Key: | SSIPTWXISYGKFY-JOCHJYFZSA-N |