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Home > Encyclopedia > 9-(3-methylbutyl)-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

9-(3-methylbutyl)-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

9-(3-methylbutyl)-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane structure

9-(3-methylbutyl)-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane 

structure
  • CAS No:

    4941-16-6

  • Formula:

    C29H43N3O4S2

  • Chemical Name:

    9-(3-methylbutyl)-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

  • Synonyms:

    NSC701791;4941-16-6;1,5,9-triazacyclododecane, 9-(3-methylbutyl)-3-methylene-1,5-bis[(4-methylphenyl)sulfonyl]-;CHEMBL270115;SCHEMBL13925184;DTXSID00327921;9-isopentyl-3-methylene-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane;9-Isopentyl-3-methylene-1,5-bis((4-methylphenyl)sulfonyl)-1,5,9-triazacyclododecane hydrochloride

9-(3-methylbutyl)-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Basic Attributes

561.8 g/mol

561.26949921 g/mol

DTXSID00327921

Characteristics

94.8 Ų

Computed Properties

Molecular Weight:561.8
XLogP3:4.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:561.26949921
Monoisotopic Mass:561.26949921
Topological Polar Surface Area:94.8
Heavy Atom Count:38
Complexity:869
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 9-(3-methylbutyl)-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

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