AC1NE2JA structure

AC1NE2JA

2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

Also Known As: 2-{[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide|2-((5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide|2-[[5-(2-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide|2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide|2-[5-(2-chlorophenyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-N-(4-fluoroph enyl)acetamide

CAS: 862104-31-2
Molecular Formula C21H16ClFN4O2S
Molecular Weight 442.06665 g/mol
LogP 5.1097
Topological Polar Surface Area 72.95 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 442.06665
Monoisotopic Mass 442.06665
Heavy Atoms 30
Complexity 1146.2949

Chemical Identifiers

CAS Number 862104-31-2
SMILES C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)F)Cl

Product Overview

AC1NE2JA (CAS 862104-31-2), with molecular formula C21H16ClFN4O2S and molecular weight 442.06665 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)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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