AC1NKQ5G structure

AC1NKQ5G

N-(4-ethoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: N-(4-ethoxyphenyl)-2-((4-(4-ethoxyphenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide|N-(4-ethoxyphenyl)-2-({4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|N-(4-ethoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(4-ethoxyphenyl)-2-{[4-(4-ethoxyphenyl)-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|N-(4-ethoxyphenyl)-2-{4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl](1,2,4-tri azol-3-ylthio)}acetamide

CAS: 899414-72-3
Molecular Formula C28H30N4O4S
Molecular Weight 518.1988 g/mol
LogP 5.68292
Topological Polar Surface Area 87.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 12
Exact Mass 518.1988
Monoisotopic Mass 518.1988
Heavy Atoms 37
Complexity 1289.524

Chemical Identifiers

CAS Number 899414-72-3
SMILES CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)COC4=CC=C(C=C4)C

Product Overview

AC1NKQ5G (CAS 899414-72-3), with molecular formula C28H30N4O4S and molecular weight 518.1988 g/mol. IUPAC: N-(4-ethoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-[(4-methylphenoxy)methyl]-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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