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Home > Encyclopedia > 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone

2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone

2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone structure

2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone 

structure
  • CAS No:

    736933-99-6

  • Formula:

    C27H31N5OS

  • Chemical Name:

    2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone

  • Synonyms:

    ZINC3308566;AKOS033915868;MCULE-7618085465;AB00722705-01;Z24535191;2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]ethan-1-one;736933-99-6

2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone Basic Attributes

473.6 g/mol

473.22493180 g/mol

Characteristics

90.9 Ų

Computed Properties

Molecular Weight:473.6
XLogP3:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:473.22493180
Monoisotopic Mass:473.22493180
Topological Polar Surface Area:90.9
Heavy Atom Count:34
Complexity:637
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone

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