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Home > Encyclopedia > 1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone

1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone

1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone structure

1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone 

structure
  • CAS No:

    763092-69-9

  • Formula:

    C27H25N3O4S

  • Chemical Name:

    1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone

  • Synonyms:

    ZINC2625255;AKOS033450537;MCULE-3191581978;Z15911381;1-{3-[({4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-ethoxyphenyl}ethan-1-one;763092-69-9

1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone Basic Attributes

487.6 g/mol

487.15657746 g/mol

Characteristics

101 Ų

Computed Properties

Molecular Weight:487.6
XLogP3:4.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:487.15657746
Monoisotopic Mass:487.15657746
Topological Polar Surface Area:101
Heavy Atom Count:35
Complexity:693
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-ethoxyphenyl]ethanone

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