AC1NCACA
5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: Oprea1_494244|Oprea1_526916|5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-N-phenyl-1,4-dihydropyridine-3-carboxamide|5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-({2-[(2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide|5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C31H30N4O3S |
|---|---|
| Molecular Weight | 538.20386 g/mol |
| LogP | 6.1003 |
| Topological Polar Surface Area | 103.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 538.20386 |
| Monoisotopic Mass | 538.20386 |
| Heavy Atoms | 39 |
| Complexity | 1457.1544 |
Chemical Identifiers
| CAS Number | 684231-30-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)NC4=CC=CC=C4C)C#N |
Product Overview
AC1NCACA (CAS 684231-30-9), with molecular formula C31H30N4O3S and molecular weight 538.20386 g/mol. IUPAC: 5-cyano-4-(4-ethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
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