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

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

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

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

structure
  • CAS No:

    618432-36-3

  • Formula:

    C22H15BrN4O3S

  • Chemical Name:

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

  • Synonyms:

    618432-36-3;ZINC2447990;SALOR-INT L417173-1EA;STL577174;AKOS024320386;MCULE-2706736328;ST50425383;1-(1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone;1-(1,3-benzodioxol-5-yl)-2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone;1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-(4-bromophenyl)-5-(4-pyridyl)(1,2,4- triazol-3-ylthio)]ethan-1-one;1-(Benzo[d][1,3]dioxol-5-yl)-2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone

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

495.3 g/mol

494.00482 g/mol

Characteristics

104 Ų

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, 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:495.3
XLogP3:4.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:494.00482
Monoisotopic Mass:494.00482
Topological Polar Surface Area:104
Heavy Atom Count:31
Complexity:618
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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