AC1LKISJ structure

AC1LKISJ

N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Also Known As: AN-648/42151748|N-(4-bromo-2-fluorophenyl)-2-({5-[(2,6-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide|N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

CAS: 662159-00-4
Molecular Formula C20H20BrFN4O2S
Molecular Weight 478.04745 g/mol
LogP 4.64334
Topological Polar Surface Area 69.04 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 478.04745
Monoisotopic Mass 478.04745
Heavy Atoms 29
Complexity 1021.0658

Chemical Identifiers

CAS Number 662159-00-4
SMILES CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)F

Product Overview

AC1LKISJ (CAS 662159-00-4), with molecular formula C20H20BrFN4O2S and molecular weight 478.04745 g/mol. IUPAC: N-(4-bromo-2-fluorophenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-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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