[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
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![[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e26358646b534abab839d7257323fd69.png "[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate")
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
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CAS No:
380540-17-0
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Formula:
C19H14ClNO5S
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate
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Synonyms:
Oprea1_375460;ZINC3234815;AKOS001011453;MCULE-4052221950;Z18785282;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 3-chloro-1-benzothiophene-2-carboxylate;380540-17-0
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CAS No:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Basic Attributes
403.8 g/mol
403.0281214 g/mol
Computed Properties
Molecular Weight:403.8
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:403.0281214
Monoisotopic Mass:403.0281214
Topological Polar Surface Area:102
Heavy Atom Count:27
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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