AC1MDAJK
2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile
Also Known As: Oprea1_047857|AE-848/32950017|2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile|2-amino-6-(benzylsulfanyl)-4-(5-{2-nitrophenyl}-2-furyl)-3,5-pyridinedicarbonitrile|2-amino-6-(benzylsulfanyl)-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile|2-amino-6-(benzylthio)-4-(5-(2-nitrophenyl)furan-2-yl)pyridine-3,5-dicarbonitrile|2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)-2-furyl]pyridine-3,5-dicarbonitrile
| Molecular Formula | C24H15N5O3S |
|---|---|
| Molecular Weight | 453.08957 g/mol |
| LogP | 5.53466 |
| Topological Polar Surface Area | 142.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.08957 |
| Monoisotopic Mass | 453.08957 |
| Heavy Atoms | 33 |
| Complexity | 1434.973 |
Chemical Identifiers
| CAS Number | 330180-35-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C#N |
Product Overview
AC1MDAJK (CAS 330180-35-3), with molecular formula C24H15N5O3S and molecular weight 453.08957 g/mol. IUPAC: 2-amino-6-benzylsulfanyl-4-[5-(2-nitrophenyl)furan-2-yl]pyridine-3,5-dicarbonitrile.
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