RefChem:449415
2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide|2-{[5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE|2-((5-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-(TRIFLUOROMETHYL)PHENYL)ACETAMIDE|2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide|644-705-7
| Molecular Formula | C24H18F3N7OS |
|---|---|
| Molecular Weight | 509.12457 g/mol |
| LogP | 4.8099 |
| Topological Polar Surface Area | 90.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.12457 |
| Monoisotopic Mass | 509.12457 |
| Heavy Atoms | 36 |
| Complexity | 1515.2335 |
Chemical Identifiers
| CAS Number | 539809-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F)CN4C5=CC=CC=C5N=N4 |
Product Overview
RefChem:449415 (CAS 539809-53-5), with molecular formula C24H18F3N7OS and molecular weight 509.12457 g/mol. IUPAC: 2-[[5-(benzotriazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.