[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-(2-methylsulfonylsulfanylethyl)azanium;bromide


Chemical Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-(2-methylsulfonylsulfanylethyl)azanium;bromide
CAS Number: 353270-25-4
Product Number: AG00C78Q(AGN-PC-07Y4YJ)
Synonyms:
MDL No:
Molecular Formula: C30H45BrN2O6S2
Molecular Weight: 673.7221

Identification/Properties


Computed Properties
Molecular Weight:
673.722g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
17
Exact Mass:
672.19g/mol
Monoisotopic Mass:
672.19g/mol
Topological Polar Surface Area:
129A^2
Heavy Atom Count:
41
Formal Charge:
0
Complexity:
904
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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