AC1MXSUP
ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate
Also Known As: Oprea1_212320|Oprea1_446988|ethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-2-propyl-1,4-dihydropyridine-3-carboxylate|ethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-propyl-1,4-dihydropyridine-3-carboxylate|ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C28H30ClN3O3S |
|---|---|
| Molecular Weight | 523.1696 g/mol |
| LogP | 6.36802 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.1696 |
| Monoisotopic Mass | 523.1696 |
| Heavy Atoms | 36 |
| Complexity | 1262.9265 |
Chemical Identifiers
| CAS Number | 369394-73-0 |
|---|---|
| SMILES | CCCC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=C(C=C2)C)C)C#N)C3=CC=CC=C3Cl)C(=O)OCC |
Product Overview
AC1MXSUP (CAS 369394-73-0), with molecular formula C28H30ClN3O3S and molecular weight 523.1696 g/mol. IUPAC: ethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-propyl-1,4-dihydropyridine-3-carboxylate.