AC1MUBJX
methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028787|Oprea1_265777|HMS668M11|SR-01000484635-1|methyl 5-cyano-6-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 5-CYANO-6-({[(3,4-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(2-METHOXYPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C25H25N3O5S |
|---|---|
| Molecular Weight | 479.1515 g/mol |
| LogP | 3.42172 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.1515 |
| Monoisotopic Mass | 479.1515 |
| Heavy Atoms | 34 |
| Complexity | 1201.2776 |
Chemical Identifiers
| CAS Number | 369394-03-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3OC)C#N)C |
Product Overview
AC1MUBJX (CAS 369394-03-6), with molecular formula C25H25N3O5S and molecular weight 479.1515 g/mol. IUPAC: methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.