MLS000097165
2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
Also Known As: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide|2-{[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide|2-{[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}-N-(2-ethyl-6-methylphenyl)acetamide
| Molecular Formula | C23H23BrN4O2S |
|---|---|
| Molecular Weight | 498.0725 g/mol |
| LogP | 6.07532 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.0725 |
| Monoisotopic Mass | 498.0725 |
| Heavy Atoms | 31 |
| Complexity | 1247.8392 |
Chemical Identifiers
| CAS Number | 701952-76-3 |
|---|---|
| SMILES | CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2CC)C3=CC4=C(O3)C=CC(=C4)Br)C |
Product Overview
MLS000097165 (CAS 701952-76-3), with molecular formula C23H23BrN4O2S and molecular weight 498.0725 g/mol. IUPAC: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
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