4-((4-(((4-((1-(4,5-Dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl)sulphonyl)phenyl)amino)sulphonyl)phenyl)azo)-4,5-dihydro-N-methyl-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide

Base Information

• Chemical Name: 4-((4-(((4-((1-(4,5-Dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl)sulphonyl)phenyl)amino)sulphonyl)phenyl)azo)-4,5-dihydro-N-methyl-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide
• CAS No.: 84360-89-4
• Molecular Formula: C48H60 N6 O8 S2
• Molecular Weight: 913.1554
• European Community (EC) Number: 282-731-7
• DSSTox Substance ID: DTXSID101098491
• Nikkaji Number: J297.652H
• Mol file: 84360-89-4.mol

Synonyms:84360-89-4;EINECS 282-731-7;4-((4-(((4-((1-(4,5-Dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl)sulphonyl)phenyl)amino)sulphonyl)phenyl)azo)-4,5-dihydro-N-methyl-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide;DTXSID101098491;4-[2-[4-[[[4-[[1-(4,5-Dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl]sulfonyl]phenyl]amino]sulfonyl]phenyl]diazenyl]-4,5-dihydro-N-methyl-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide

Chemical Property of 4-((4-(((4-((1-(4,5-Dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl)sulphonyl)phenyl)amino)sulphonyl)phenyl)azo)-4,5-dihydro-N-methyl-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide

Chemical Property:

• PSA: 217.70000
• Density: 1.26g/cm³
• LogP: 11.64290
• XLogP3: 10.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 24
• Exact Mass: 912.39140524
• Heavy Atom Count: 64
• Complexity: 1980

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(C1=C(C(=O)C(=C(C1=O)C)C)CCC)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=CC=C5)C(=O)NC