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Home > Encyclopedia > 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one

4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one

4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one structure

4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one 

structure
  • CAS No:

    786729-94-0

  • Formula:

    C26H22FN3O3S

  • Chemical Name:

    4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one

  • Synonyms:

    ZINC3375713;AKOS033450704;MCULE-1326390050;Z15911877;4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-fluorophenyl)butan-1-one;786729-94-0

4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one Basic Attributes

475.5 g/mol

475.13659091 g/mol

Characteristics

91.5 Ų

Computed Properties

Molecular Weight:475.5
XLogP3:5.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:475.13659091
Monoisotopic Mass:475.13659091
Topological Polar Surface Area:91.5
Heavy Atom Count:34
Complexity:659
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 4-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one

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