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

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

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

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

structure
  • CAS No:

    730248-06-3

  • Formula:

    C22H22N4OS3

  • Chemical Name:

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

  • Synonyms:

    ZINC3295077;AKOS000883834;MCULE-5621690955;Z20182152;1-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one;730248-06-3

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

454.6 g/mol

454.09557486 g/mol

Characteristics

140 Ų

Computed Properties

Molecular Weight:454.6
XLogP3:5.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:454.09557486
Monoisotopic Mass:454.09557486
Topological Polar Surface Area:140
Heavy Atom Count:30
Complexity:581
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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