[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
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![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2fdbb0cccc6f47bcaf5d6e6438f4b961.png "[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate")
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
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CAS No:
781621-41-8
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Formula:
C21H18BrNO4
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Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
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Synonyms:
ZINC3323980;AKOS000821570;MCULE-8047883522;Z15468684;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate;781621-41-8
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CAS No:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Basic Attributes
428.3 g/mol
427.04192 g/mol
Computed Properties
Molecular Weight:428.3
XLogP3:4.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:427.04192
Monoisotopic Mass:427.04192
Topological Polar Surface Area:59.8
Heavy Atom Count:27
Complexity:570
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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