AC1NBWCL
N-[(4-chlorophenyl)methyl]-2-[[4-ethyl-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|N-[(4-chlorophenyl)methyl]-2-[[4-ethyl-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-[(4-chlorophenyl)methyl]-2-{4-ethyl-5-[2-(4-nitropyrazolyl)ethyl](1,2,4-tria zol-3-ylthio)}acetamide
| Molecular Formula | C18H20ClN7O3S |
|---|---|
| Molecular Weight | 449.1037 g/mol |
| LogP | 2.7073 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.1037 |
| Monoisotopic Mass | 449.1037 |
| Heavy Atoms | 30 |
| Complexity | 1019.21893 |
Chemical Identifiers
| CAS Number | 588686-13-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)CCN3C=C(C=N3)[N+](=O)[O-] |
Product Overview
AC1NBWCL (CAS 588686-13-9), with molecular formula C18H20ClN7O3S and molecular weight 449.1037 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-[[4-ethyl-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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