AC1NKCMM
2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide|2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide|2-((4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide|2-(4-phenyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))-N-[2-(trifluoromethyl)pheny l]acetamide
| Molecular Formula | C22H16F3N5OS |
|---|---|
| Molecular Weight | 455.10275 g/mol |
| LogP | 5.0789 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.10275 |
| Monoisotopic Mass | 455.10275 |
| Heavy Atoms | 32 |
| Complexity | 1213.2307 |
Chemical Identifiers
| CAS Number | 896592-44-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)C4=CC=CC=N4 |
Product Overview
AC1NKCMM (CAS 896592-44-2), with molecular formula C22H16F3N5OS and molecular weight 455.10275 g/mol. IUPAC: 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
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