ChemDiv1_009426
methyl 6-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_009426|HMS613M10|SR-01000484440-1|F1155-0003|methyl 6-({[(3-acetylphenyl)carbamoyl]methyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-((2-((3-acetylphenyl)amino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-({2-[(3-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate|methyl 6-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 6-({2-[(3-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C24H20ClN3O5S |
|---|---|
| Molecular Weight | 497.0812 g/mol |
| LogP | 3.65228 |
| Topological Polar Surface Area | 125.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.0812 |
| Monoisotopic Mass | 497.0812 |
| Heavy Atoms | 34 |
| Complexity | 1219.8594 |
Chemical Identifiers
| CAS Number | 370855-20-2 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)Cl)C#N |
Product Overview
ChemDiv1_009426 (CAS 370855-20-2), with molecular formula C24H20ClN3O5S and molecular weight 497.0812 g/mol. IUPAC: methyl 6-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.