AC1MRWQO structure

AC1MRWQO

N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide

Also Known As: SR-01000542028-1|F0721-0763|N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(N,N-dimethylsulfamoyl)benzamide|N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(dimethylsulfamoyl)benzamide|N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide

CAS: 393875-45-1
Molecular Formula C28H27N7O5S3
Molecular Weight 637.1236 g/mol
LogP 3.7967
Topological Polar Surface Area 148.41 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
Rotatable Bonds 11
Exact Mass 637.1236
Monoisotopic Mass 637.1236
Heavy Atoms 43
Complexity 1853.3164

Chemical Identifiers

CAS Number 393875-45-1
SMILES CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3OC)SCC(=O)NC4=NC5=CC=CC=C5S4

Product Overview

AC1MRWQO (CAS 393875-45-1), with molecular formula C28H27N7O5S3 and molecular weight 637.1236 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-(dimethylsulfamoyl)benzamide.

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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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