AC1NK96I
N-(4-acetamidophenyl)-2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-acetamidophenyl)-2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(4-acetamidophenyl)-2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-[4-(acetylamino)phenyl]-2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3- ylthio)]acetamide|N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C16H18N8O2S |
|---|---|
| Molecular Weight | 386.12735 g/mol |
| LogP | 1.37962 |
| Topological Polar Surface Area | 143.61 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.12735 |
| Monoisotopic Mass | 386.12735 |
| Heavy Atoms | 27 |
| Complexity | 963.218 |
Chemical Identifiers
| CAS Number | 879451-02-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)NC(=O)C |
Product Overview
AC1NK96I (CAS 879451-02-2), with molecular formula C16H18N8O2S and molecular weight 386.12735 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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