AC1LPHXE structure

AC1LPHXE

N-(4-bromo-2,3-dimethylphenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: N-(4-bromo-2,3-dimethylphenyl)-2-[(4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide|N-(4-bromo-2,3-dimethylphenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

CAS: 694460-87-2
Molecular Formula C23H27BrN4O2S
Molecular Weight 502.10382 g/mol
LogP 5.62764
Topological Polar Surface Area 69.04 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 8
Exact Mass 502.10382
Monoisotopic Mass 502.10382
Heavy Atoms 31
Complexity 1064.1836

Chemical Identifiers

CAS Number 694460-87-2
SMILES CC1=C(C=CC(=C1C)Br)NC(=O)CSC2=NN=C(N2C)COC3=CC=C(C=C3)C(C)C

Product Overview

AC1LPHXE (CAS 694460-87-2), with molecular formula C23H27BrN4O2S and molecular weight 502.10382 g/mol. IUPAC: N-(4-bromo-2,3-dimethylphenyl)-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)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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