AC1MSTHY
methyl 5-cyano-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: Oprea1_731383|methyl 5-cyano-4-(4-methoxyphenyl)-6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 5-CYANO-4-(4-METHOXYPHENYL)-6-({[(4-METHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 5-cyano-4-(4-methoxyphenyl)-6-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C24H23N3O6S |
|---|---|
| Molecular Weight | 481.13077 g/mol |
| LogP | 2.81348 |
| Topological Polar Surface Area | 126.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.13077 |
| Monoisotopic Mass | 481.13077 |
| Heavy Atoms | 34 |
| Complexity | 1138.7935 |
Chemical Identifiers
| CAS Number | 684237-87-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)OC)C(=O)OC |
Product Overview
AC1MSTHY (CAS 684237-87-4), with molecular formula C24H23N3O6S and molecular weight 481.13077 g/mol. IUPAC: methyl 5-cyano-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.