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Home > Encyclopedia > 2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone structure

2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone 

structure
  • CAS No:

    325694-63-1

  • Formula:

    C23H16ClN3O3S

  • Chemical Name:

    2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

  • Synonyms:

    2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone;325694-63-1;MLS000572536;CHEMBL1863578;HMS2511N19;ZINC2674861;STK804121;AKOS000807080;MCULE-2608891797;SMR000194035

2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone Basic Attributes

449.90944

449.06

Characteristics

91.5

5.4

Computed Properties

Molecular Weight:449.9
XLogP3:5.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:449.0600902
Monoisotopic Mass:449.0600902
Topological Polar Surface Area:91.5
Heavy Atom Count:31
Complexity:615
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethanone

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