ChemDiv1_009384
methyl 5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_009384|Oprea1_043304|Oprea1_577665|HMS613K12|SR-01000484453-1|F1155-0017|methyl 5-cyano-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-2-hydroxy-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-[4-(propan-2-yl)phenyl]-3,4-dihydropyridine-3-carboxylate|methyl 5-cyano-4-(4-isopropylphenyl)-2-oxo-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C26H27N3O4S |
|---|---|
| Molecular Weight | 477.17224 g/mol |
| LogP | 4.2281 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.17224 |
| Monoisotopic Mass | 477.17224 |
| Heavy Atoms | 34 |
| Complexity | 1165.3134 |
Chemical Identifiers
| CAS Number | 369394-16-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)C(C)C)C#N |
Product Overview
ChemDiv1_009384 (CAS 369394-16-1), with molecular formula C26H27N3O4S and molecular weight 477.17224 g/mol. IUPAC: methyl 5-cyano-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate.