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Home > Encyclopedia > 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone structure

1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone 

structure
  • CAS No:

    731000-86-5

  • Formula:

    C19H17BrN2O2S

  • Chemical Name:

    1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

  • Synonyms:

    MLS001006895;CHEMBL1459714;HMS2694B03;ZINC3288126;AKOS001070861;SMR000384392;Z18545634;2-({2-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)pyridin-1-ium-1-olate;731000-86-5

1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Basic Attributes

417.3 g/mol

416.01941 g/mol

Characteristics

72.8 Ų

Computed Properties

Molecular Weight:417.3
XLogP3:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:416.01941
Monoisotopic Mass:416.01941
Topological Polar Surface Area:72.8
Heavy Atom Count:25
Complexity:459
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone

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