AC1MGVJN
methyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: Oprea1_176417|Oprea1_270916|AE-848/41827289|methyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate|methyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate|methyl 5-cyano-6-((2-(cyclohexylamino)-2-oxoethyl)thio)-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate|methyl 5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C25H31N3O4S |
|---|---|
| Molecular Weight | 469.20352 g/mol |
| LogP | 4.13638 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.20352 |
| Monoisotopic Mass | 469.20352 |
| Heavy Atoms | 33 |
| Complexity | 989.6113 |
Chemical Identifiers
| CAS Number | 663217-75-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(=C(NC(=C2C(=O)OC)C)SCC(=O)NC3CCCCC3)C#N |
Product Overview
AC1MGVJN (CAS 663217-75-2), with molecular formula C25H31N3O4S and molecular weight 469.20352 g/mol. IUPAC: methyl 5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
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