ethyl 6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0064 |
| Compound Name: | ethyl 6-{[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 587.1 |
| Molecular Formula: | C31 H27 Cl N4 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(Nc1ccc(cc1)NC(C)=O)=O)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6024 |
| logD: | 1.259 |
| logSw: | -5.8276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.225 |
| InChI Key: | HDEDVXRQIJVMEO-HHHXNRCGSA-N |