AC1OBUTR structure

AC1OBUTR

2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

Also Known As: 2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide|(E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide|2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide|N-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-2-[4-(4-methoxyphenyl)-5-(4-met hylphenyl)(1,2,4-triazol-3-ylthio)]acetamide

CAS: 406465-18-7
Molecular Formula C28H29N5O5S
Molecular Weight 547.18896 g/mol
LogP 4.51952
Topological Polar Surface Area 109.09 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 9
Rotatable Bonds 11
Exact Mass 547.18896
Monoisotopic Mass 547.18896
Heavy Atoms 39
Complexity 1427.4528

Chemical Identifiers

CAS Number 406465-18-7
SMILES CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C/C4=CC(=C(C(=C4)OC)OC)OC

Product Overview

AC1OBUTR (CAS 406465-18-7), with molecular formula C28H29N5O5S and molecular weight 547.18896 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]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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