[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
749881-79-6
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Formula:
C21H22N2O6S
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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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
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CAS No:
[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
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
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