CBKinase1_005864
2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: CBKinase1_005864|CBKinase1_018264|BRD-K22097123-001-01-5|2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide|2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CAS: 701239-45-4
| Molecular Formula | C19H16F3N5O3S |
|---|---|
| Molecular Weight | 451.0926 g/mol |
| LogP | 4.6228 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.0926 |
| Monoisotopic Mass | 451.0926 |
| Heavy Atoms | 31 |
| Complexity | 1117.163 |
Chemical Identifiers
| CAS Number | 701239-45-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(F)(F)F)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
CBKinase1_005864 (CAS 701239-45-4), with molecular formula C19H16F3N5O3S and molecular weight 451.0926 g/mol. IUPAC: 2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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