AC1N8VAQ
2-[[4-ethyl-5-[2-[4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: F1280-0006|2-({4-ethyl-5-[2-(4-ethyl-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one|2,2'-{ethane-1,2-diylbis[(4-ethyl-4H-1,2,4-triazole-5,3-diyl)sulfanediyl]}bis[1-(4-fluorophenyl)ethanone]|2-[[4-ethyl-5-[2-[4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone|2,2'-((5,5'-(ethane-1,2-diyl)bis(4-ethyl-4H-1,2,4-triazole-5,3-diyl))bis(sulfanediyl))bis(1-(4-fluorophenyl)ethanone)|2-[4-ethyl-5-(2-{4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethylthio](1,2,4-triazol-3 -yl)}ethyl)(1,2,4-triazol-3-ylthio)]-1-(4-fluorophenyl)ethan-1-one
| Molecular Formula | C26H26F2N6O2S2 |
|---|---|
| Molecular Weight | 556.15265 g/mol |
| LogP | 4.9228 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 556.15265 |
| Monoisotopic Mass | 556.15265 |
| Heavy Atoms | 38 |
| Complexity | 1296.6217 |
Chemical Identifiers
| CAS Number | 496775-91-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)CCC3=NN=C(N3CC)SCC(=O)C4=CC=C(C=C4)F |
Product Overview
AC1N8VAQ (CAS 496775-91-8), with molecular formula C26H26F2N6O2S2 and molecular weight 556.15265 g/mol. IUPAC: 2-[[4-ethyl-5-[2-[4-ethyl-5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.