AC1LLX0V structure

AC1LLX0V

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide

Also Known As: BAS 01248679|2-((5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methyl-3-nitrophenyl)acetamide|AG-690/13703401|2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide|2-[5-(4-bromophenyl)(1,3,4-oxadiazol-2-ylthio)]-N-(4-methyl-3-nitrophenyl)acet amide|2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-{3-nitro-4-methylphenyl}acetamide|2-[5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide

CAS: 332161-29-2
Molecular Formula C17H13BrN4O4S
Molecular Weight 447.9841 g/mol
LogP 4.44652
Topological Polar Surface Area 111.16 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 447.9841
Monoisotopic Mass 447.9841
Heavy Atoms 27
Complexity 990.8534

Chemical Identifiers

CAS Number 332161-29-2
SMILES CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Product Overview

AC1LLX0V (CAS 332161-29-2), with molecular formula C17H13BrN4O4S and molecular weight 447.9841 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)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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