AC1LXT5T
N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(4-bromo-3-methylphenyl)-2-((5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(4-bromo-3-methylphenyl)-2-[5-(3-chlorophenyl)-4-(2-furylmethyl)(1,2,4-triaz ol-3-ylthio)]acetamide
| Molecular Formula | C22H18BrClN4O2S |
|---|---|
| Molecular Weight | 516.00226 g/mol |
| LogP | 6.04152 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.00226 |
| Monoisotopic Mass | 516.00226 |
| Heavy Atoms | 31 |
| Complexity | 1210.2086 |
Chemical Identifiers
| CAS Number | 896809-05-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl)Br |
Product Overview
AC1LXT5T (CAS 896809-05-5), with molecular formula C22H18BrClN4O2S and molecular weight 516.00226 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.