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

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

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

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

structure
  • CAS No:

    848989-19-5

  • Formula:

    C21H22ClN3OS

  • Chemical Name:

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

  • Synonyms:

    ZINC2446499;STK578395;AKOS005502512;MCULE-8087837486;ST50415581;1-[5-(2-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-3,3-dimethyl butan-2-one;1-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one;848989-19-5

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

399.9 g/mol

399.1172112 g/mol

Characteristics

73.1 Ų

Computed Properties

Molecular Weight:399.9
XLogP3:5.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:399.1172112
Monoisotopic Mass:399.1172112
Topological Polar Surface Area:73.1
Heavy Atom Count:27
Complexity:504
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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