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Home > Encyclopedia > [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 

structure
  • CAS No:

    749881-79-6

  • Formula:

    C21H22N2O6S

  • Chemical Name:

    [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

  • Synonyms:

    ZINC2652288;AKOS033771976;MCULE-2708576659;Z21466595;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;749881-79-6

[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes

430.5 g/mol

430.11985760 g/mol

Characteristics

131 Ų

Computed Properties

Molecular Weight:430.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:430.11985760
Monoisotopic Mass:430.11985760
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:661
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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