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Home > Encyclopedia > ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate

ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate

ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate structure

ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate 

structure
  • CAS No:

    851397-39-2

  • Formula:

    C14H13BrN4O3S

  • Chemical Name:

    ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate

  • Synonyms:

    ZINC6489019;AKOS033611243;MCULE-6682609445;Z18356250;851397-39-2;ethyl 3-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-bromo-1-benzofuran-2-carboxylate

ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate Basic Attributes

397.25 g/mol

395.98917 g/mol

Characteristics

132 Ų

Computed Properties

Molecular Weight:397.25
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:395.98917
Monoisotopic Mass:395.98917
Topological Polar Surface Area:132
Heavy Atom Count:23
Complexity:433
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of ethyl 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-bromo-1-benzofuran-2-carboxylate

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