AC1LZBR2 structure

AC1LZBR2

(E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide

Also Known As: CDS1_004173|BAS 00435347|BIM-0023843.P001|(E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide|(2E)-N-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-nitrophenyl)prop-2-enamide|(E)-N-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)-3-(4-nitrophenyl)acrylamide|N~1~-(4,6-DIMETHYL-2-PYRIMIDINYL)-4-[({[3-(4-NITROPHENYL)ACRYLOYL]AMINO}CARBOTHIOYL)AMINO]-1-BENZENESULFONAMIDE

CAS: 418772-98-2
Molecular Formula C22H20N6O5S2
Molecular Weight 512.0937 g/mol
LogP 3.32884
Topological Polar Surface Area 156.22 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 512.0937
Monoisotopic Mass 512.0937
Heavy Atoms 35
Complexity 1385.0038

Chemical Identifiers

CAS Number 418772-98-2
SMILES CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C

Product Overview

AC1LZBR2 (CAS 418772-98-2), with molecular formula C22H20N6O5S2 and molecular weight 512.0937 g/mol. IUPAC: (E)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide.

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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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