AC1N2M7X
ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: Oprea1_511814|AM-807/13059540|ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate|ethyl 5-cyano-6-((2-(4-fluorophenyl)-2-oxoethyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethylthio]-2-methyl-4-(2-thienyl)-1,4 -dihydropyridine-3-carboxylate|ethyl 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
| Molecular Formula | C22H19FN2O3S2 |
|---|---|
| Molecular Weight | 442.08212 g/mol |
| LogP | 4.76238 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.08212 |
| Monoisotopic Mass | 442.08212 |
| Heavy Atoms | 30 |
| Complexity | 1051.0519 |
Chemical Identifiers
| CAS Number | 313379-53-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)C3=CC=C(C=C3)F)C |
Product Overview
AC1N2M7X (CAS 313379-53-2), with molecular formula C22H19FN2O3S2 and molecular weight 442.08212 g/mol. IUPAC: ethyl 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
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