AC1NK5ZV
2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromo-3-methylphenyl)acetamide|2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide|2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromo-3-meth ylphenyl)acetamide|2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromo-3-methylphenyl)acetamide
| Molecular Formula | C20H18BrN7OS |
|---|---|
| Molecular Weight | 483.0477 g/mol |
| LogP | 3.85072 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.0477 |
| Monoisotopic Mass | 483.0477 |
| Heavy Atoms | 30 |
| Complexity | 1189.1005 |
Chemical Identifiers
| CAS Number | 879452-91-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4)Br |
Product Overview
AC1NK5ZV (CAS 879452-91-2), with molecular formula C20H18BrN7OS and molecular weight 483.0477 g/mol. IUPAC: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromo-3-methylphenyl)acetamide.
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