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Home > Encyclopedia > propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate structure

propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate 

structure
  • CAS No:

    731787-70-5

  • Formula:

    C21H21N3O4S

  • Chemical Name:

    propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

  • Synonyms:

    ZINC3355797;AKOS033450369;MCULE-5634060379;AB00717944-01;Z15911108;731787-70-5;propan-2-yl 2-({4-[(2H-1,3-benzodioxol-5-yl)methyl]-5-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate

propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Basic Attributes

411.5 g/mol

411.12527733 g/mol

Characteristics

101 Ų

Computed Properties

Molecular Weight:411.5
XLogP3:4.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:411.12527733
Monoisotopic Mass:411.12527733
Topological Polar Surface Area:101
Heavy Atom Count:29
Complexity:546
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of propan-2-yl 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate

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