AC1N9SOE structure

AC1N9SOE

1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone

Also Known As: F0545-0387|1-(3-(4-bromophenyl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)ethanone|1-[3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one|1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone

CAS: 681276-06-2
Molecular Formula C34H30BrN3OS
Molecular Weight 607.1293 g/mol
LogP 8.53894
Topological Polar Surface Area 37.6 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 7
Exact Mass 607.1293
Monoisotopic Mass 607.1293
Heavy Atoms 40
Complexity 1706.087

Chemical Identifiers

CAS Number 681276-06-2
SMILES CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC(=C5)C)C6=CC=C(C=C6)Br

Product Overview

AC1N9SOE (CAS 681276-06-2), with molecular formula C34H30BrN3OS and molecular weight 607.1293 g/mol. IUPAC: 1-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone.

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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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