AC1MGJ7P
ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: BAS 06900686|ethyl 5-cyano-6-[(4-fluorobenzyl)sulfanyl]-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate|AM-807/14961082|ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate|ethyl 5-cyano-6-((4-fluorobenzyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|ethyl 5-cyano-6-[(4-fluorobenzyl)sulfanyl]-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|ethyl 5-cyano-6-[(4-fluorophenyl)methylthio]-2-methyl-4-(2-thienyl)-1,4-dihydr opyridine-3-carboxylate
| Molecular Formula | C21H19FN2O2S2 |
|---|---|
| Molecular Weight | 414.0872 g/mol |
| LogP | 5.07968 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.0872 |
| Monoisotopic Mass | 414.0872 |
| Heavy Atoms | 28 |
| Complexity | 957.2919 |
Chemical Identifiers
| CAS Number | 445385-91-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC3=CC=C(C=C3)F)C |
Product Overview
AC1MGJ7P (CAS 445385-91-1), with molecular formula C21H19FN2O2S2 and molecular weight 414.0872 g/mol. IUPAC: ethyl 5-cyano-6-[(4-fluorophenyl)methylsulfanyl]-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
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