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Home > Encyclopedia > 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone structure

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone 

structure
  • CAS No:

    744240-94-6

  • Formula:

    C21H20N2O4S

  • Chemical Name:

    1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

  • Synonyms:

    ZINC2635212;AKOS033630698;Z18546349;2-[(2-{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl)sulfanyl]pyridin-1-ium-1-olate;744240-94-6

1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Basic Attributes

396.5 g/mol

396.11437830 g/mol

Characteristics

91.2 Ų

Computed Properties

Molecular Weight:396.5
XLogP3:3.1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:396.11437830
Monoisotopic Mass:396.11437830
Topological Polar Surface Area:91.2
Heavy Atom Count:28
Complexity:551
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

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