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Home > Encyclopedia > methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate structure

methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate 

structure
  • CAS No:

    693239-79-1

  • Formula:

    C21H22N2O5S2

  • Chemical Name:

    methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

  • Synonyms:

    ZINC2373797;STK843511;AKOS005625715;MCULE-3194446237;693239-79-1;methyl 2-{[(1,3-benzodioxol-5-ylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Basic Attributes

446.5 g/mol

446.09701415 g/mol

Characteristics

146 Ų

Computed Properties

Molecular Weight:446.5
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:446.09701415
Monoisotopic Mass:446.09701415
Topological Polar Surface Area:146
Heavy Atom Count:30
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

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