ChemDiv1_028561
methyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028561|Oprea1_757280|Oprea1_780074|HMS668C05|SR-01000484571-1|methyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 4-(2-chlorophenyl)-5-cyano-2-hydroxy-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate|methyl 4-(2-chlorophenyl)-5-cyano-2-oxo-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 4-(2-CHLOROPHENYL)-5-CYANO-6-({[(2-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C23H20ClN3O4S |
|---|---|
| Molecular Weight | 469.0863 g/mol |
| LogP | 3.7581 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.0863 |
| Monoisotopic Mass | 469.0863 |
| Heavy Atoms | 32 |
| Complexity | 1142.0566 |
Chemical Identifiers
| CAS Number | 369398-89-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3Cl)C#N |
Product Overview
ChemDiv1_028561 (CAS 369398-89-0), with molecular formula C23H20ClN3O4S and molecular weight 469.0863 g/mol. IUPAC: methyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.