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Home > Encyclopedia > 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone structure

2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 

structure
  • CAS No:

    757228-61-8

  • Formula:

    C24H22N4O3S

  • Chemical Name:

    2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

  • Synonyms:

    ZINC2619431;AKOS033478581;MCULE-3340792329;Z16254213;2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethan-1-one;757228-61-8

2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Basic Attributes

446.5 g/mol

446.14126175 g/mol

Characteristics

96.5 Ų

Computed Properties

Molecular Weight:446.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:446.14126175
Monoisotopic Mass:446.14126175
Topological Polar Surface Area:96.5
Heavy Atom Count:32
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

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