ChemDiv1_028649
methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028649|Oprea1_291630|Oprea1_790689|HMS668G05|SR-01000484573-1|F1155-0151|methyl 4-(2-chlorophenyl)-6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 4-(2-chlorophenyl)-6-({[(3-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 4-(2-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate|methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 4-(2-chlorophenyl)-6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C22H17Cl2N3O4S |
|---|---|
| Molecular Weight | 489.03168 g/mol |
| LogP | 4.10308 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.03168 |
| Monoisotopic Mass | 489.03168 |
| Heavy Atoms | 32 |
| Complexity | 1145.991 |
Chemical Identifiers
| CAS Number | 370855-54-2 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC(=CC=C2)Cl)C#N)C3=CC=CC=C3Cl |
Product Overview
ChemDiv1_028649 (CAS 370855-54-2), with molecular formula C22H17Cl2N3O4S and molecular weight 489.03168 g/mol. IUPAC: methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.