AC1LOU9C
(4R)-5-acetyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Also Known As: (4R)-5-acetyl-6-methyl-2-[(2-methylbenzyl)sulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile|(4R)-5-acetyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile|(4R)-5-acetyl-6-methyl-2-[(2-methylphenyl)methylthio]-4-(2-nitrophenyl)-1,4-di hydropyridine-3-carbonitrile|(R)-5-acetyl-6-methyl-2-((2-methylbenzyl)thio)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13037 g/mol |
| LogP | 5.1216 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13037 |
| Monoisotopic Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1128.5084 |
Chemical Identifiers
| CAS Number | 294635-04-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=C([C@@H](C(=C(N2)C)C(=O)C)C3=CC=CC=C3[N+](=O)[O-])C#N |
Product Overview
AC1LOU9C (CAS 294635-04-4), with molecular formula C23H21N3O3S and molecular weight 419.13037 g/mol. IUPAC: (4R)-5-acetyl-6-methyl-2-[(2-methylphenyl)methylsulfanyl]-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile.