AC1MERC9
5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Also Known As: Oprea1_722834|Oprea1_814794|5-cyano-6-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide|SR-01000484663-1|5-CYANO-6-({[(4-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(FURAN-2-YL)-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXAMIDE|F1155-0260|5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide|5-cyano-6-({2-[(4-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.13617 g/mol |
| LogP | 3.23148 |
| Topological Polar Surface Area | 130.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.13617 |
| Monoisotopic Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1065.9305 |
Chemical Identifiers
| CAS Number | 369398-37-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)N)C3=CC=CO3)C#N |
Product Overview
AC1MERC9 (CAS 369398-37-8), with molecular formula C22H22N4O4S and molecular weight 438.13617 g/mol. IUPAC: 5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide.