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Home > Encyclopedia > 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone

2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone

2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone structure

2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone 

structure
  • CAS No:

    745036-75-3

  • Formula:

    C20H18N4O3S3

  • Chemical Name:

    2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone

  • Synonyms:

    MLS000565888;SMR000152983;2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone;2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone;MLS002635213;CHEMBL1526624;SCHEMBL13856646;BDBM39759;cid_2102207;CHEBI:108554;HMS1722M13;HMS2471M09;ZINC2639234;AKOS000894270;MCULE-9137393224;CID 2102207;MLS-0107074.0001;Q27187478;Z20255081;2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3,4-dihydroxyphenyl)ethan-1-one;2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3,4-bis(oxidanyl)phenyl]ethanone;745036-75-3

Description

2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone is an aromatic ketone.

2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone Basic Attributes

458.6 g/mol

458.05410397 g/mol

Characteristics

180 Ų

Computed Properties

Molecular Weight:458.6
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:458.05410397
Monoisotopic Mass:458.05410397
Topological Polar Surface Area:180
Heavy Atom Count:30
Complexity:590
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone

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