AC1NBW3I
2-[[5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
Also Known As: 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide|2-[[5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide|2-{5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-(2,4,5 -trichlorophenyl)acetamide
| Molecular Formula | C21H18Cl4N4OS |
|---|---|
| Molecular Weight | 513.99554 g/mol |
| LogP | 6.9135 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.99554 |
| Monoisotopic Mass | 515.9926 |
| Heavy Atoms | 31 |
| Complexity | 1119.3126 |
Chemical Identifiers
| CAS Number | 588685-77-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)C3CC3C4=CC=C(C=C4)Cl |
Product Overview
AC1NBW3I (CAS 588685-77-2), with molecular formula C21H18Cl4N4OS and molecular weight 513.99554 g/mol. IUPAC: 2-[[5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
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