AC1LR9JY structure

AC1LR9JY

2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Also Known As: 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide|2-((5-(4-Chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide|2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)ACETAMIDE|2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide|650-481-1|N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[5-(4-chlorophenyl)-4-(4-methylphenyl) (1,2,4-triazol-3-ylthio)]acetamide

CAS: 477331-34-3
Molecular Formula C25H21ClN4O3S
Molecular Weight 492.1023 g/mol
LogP 5.39812
Topological Polar Surface Area 78.27 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 492.1023
Monoisotopic Mass 492.1023
Heavy Atoms 34
Complexity 1323.2526

Chemical Identifiers

CAS Number 477331-34-3
SMILES CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Cl

Product Overview

AC1LR9JY (CAS 477331-34-3), with molecular formula C25H21ClN4O3S and molecular weight 492.1023 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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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