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

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

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

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

structure
  • CAS No:

    762247-94-9

  • Formula:

    C21H21N3O3S

  • Chemical Name:

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

  • Synonyms:

    ZINC2622751;AKOS033478634;MCULE-9624739855;Z16254724;1-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one;762247-94-9

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

395.5 g/mol

395.13036271 g/mol

Characteristics

91.5 Ų

Computed Properties

Molecular Weight:395.5
XLogP3:4.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:395.13036271
Monoisotopic Mass:395.13036271
Topological Polar Surface Area:91.5
Heavy Atom Count:28
Complexity:550
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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