AC1NBWCY
2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
Also Known As: 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide|2-({4-ethyl-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide|2-{4-ethyl-5-[2-(5-methyl-3-nitropyrazolyl)ethyl](1,2,4-triazol-3-ylthio)}-N-( 2,4,5-trichlorophenyl)acetamide
| Molecular Formula | C18H18Cl3N7O3S |
|---|---|
| Molecular Weight | 517.02576 g/mol |
| LogP | 4.64482 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.02576 |
| Monoisotopic Mass | 517.02576 |
| Heavy Atoms | 32 |
| Complexity | 1165.1377 |
Chemical Identifiers
| CAS Number | 588686-27-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)CCN3C(=CC(=N3)[N+](=O)[O-])C |
Product Overview
AC1NBWCY (CAS 588686-27-5), with molecular formula C18H18Cl3N7O3S and molecular weight 517.02576 g/mol. IUPAC: 2-[[4-ethyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
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