AC1NNJ99
2-[[4-ethyl-5-[2-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
Also Known As: F1280-0020|2-{[4-ethyl-5-(2-{4-ethyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one|2,2'-{ethane-1,2-diylbis[(4-ethyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis(1-phenylethanone)|2-[[4-ethyl-5-[2-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone|2,2'-((5,5'-(ethane-1,2-diyl)bis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-phenylethanone)|2-(4-ethyl-5-{2-[4-ethyl-5-(2-oxo-2-phenylethylthio)(1,2,4-triazol-3-yl)]ethyl }(1,2,4-triazol-3-ylthio))-1-phenylethan-1-one
| Molecular Formula | C26H28N6O2S2 |
|---|---|
| Molecular Weight | 520.1715 g/mol |
| LogP | 4.6446 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 520.1715 |
| Monoisotopic Mass | 520.1715 |
| Heavy Atoms | 36 |
| Complexity | 1202.9879 |
Chemical Identifiers
| CAS Number | 496775-75-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CCC3=NN=C(N3CC)SCC(=O)C4=CC=CC=C4 |
Product Overview
AC1NNJ99 (CAS 496775-75-8), with molecular formula C26H28N6O2S2 and molecular weight 520.1715 g/mol. IUPAC: 2-[[4-ethyl-5-[2-(4-ethyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone.