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

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

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

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

structure
  • CAS No:

    735337-00-5

  • Formula:

    C21H22BrN3OS

  • Chemical Name:

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

  • Synonyms:

    ZINC3320558;AKOS033425515;MCULE-1055603126;Z15571336;1-{[4-benzyl-5-(2-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one;735337-00-5

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

444.4 g/mol

443.06670 g/mol

Characteristics

73.1 Ų

Computed Properties

Molecular Weight:444.4
XLogP3:5.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:443.06670
Monoisotopic Mass:443.06670
Topological Polar Surface Area:73.1
Heavy Atom Count:27
Complexity:492
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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