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Home > Encyclopedia > 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone structure

1-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone 

structure
  • CAS No:

    618432-46-5

  • Formula:

    C24H20N4O4S

  • Chemical Name:

    1-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

  • Synonyms:

    618432-46-5;ZINC2378005;STL336558;AKOS022108787;MCULE-9537370364;ST50425414;1-(1,3-benzodioxol-5-yl)-2-{[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone;1-(1,3-benzodioxol-5-yl)-2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone;1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)(1,2,4 -triazol-3-ylthio)]ethan-1-one;1-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone

1-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes

460.5 g/mol

460.12052631 g/mol

Characteristics

114 Ų

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:460.5
XLogP3:4.1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:460.12052631
Monoisotopic Mass:460.12052631
Topological Polar Surface Area:114
Heavy Atom Count:33
Complexity:650
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

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