AC1NIQTA structure

AC1NIQTA

N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: N-(3,5-bis(trifluoromethyl)phenyl)-2-((5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide|N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(2-fluorophenyl)-4-phenyl(1,2,4-triazo l-3-ylthio)]acetamide|N-[3,5-bis(trifluoromethyl)phenyl]-2-{[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

CAS: 896597-82-3
Molecular Formula C24H15F7N4OS
Molecular Weight 540.08545 g/mol
LogP 6.8418
Topological Polar Surface Area 59.81 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 540.08545
Monoisotopic Mass 540.08545
Heavy Atoms 37
Complexity 1386.6125

Chemical Identifiers

CAS Number 896597-82-3
SMILES C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F

Product Overview

AC1NIQTA (CAS 896597-82-3), with molecular formula C24H15F7N4OS and molecular weight 540.08545 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

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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.
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