AC1NBWCW
2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
Also Known As: 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide|2-[5-(4-bromo(2-thienyl))-4-methyl(1,2,4-triazol-3-ylthio)]-N-(4-chloro-3-nitr ophenyl)acetamide|2-{[5-(4-bromothiophen-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-3-nitrophenyl)acetamide
| Molecular Formula | C15H11BrClN5O3S2 |
|---|---|
| Molecular Weight | 486.9175 g/mol |
| LogP | 4.5985 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.9175 |
| Monoisotopic Mass | 486.9175 |
| Heavy Atoms | 27 |
| Complexity | 1022.8036 |
Chemical Identifiers
| CAS Number | 588686-25-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC(=CS3)Br |
Product Overview
AC1NBWCW (CAS 588686-25-3), with molecular formula C15H11BrClN5O3S2 and molecular weight 486.9175 g/mol. IUPAC: 2-[[5-(4-bromothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide.
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