[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
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![[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/77344e60611a413b9e71e02d74c52f02.png "[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate")
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
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CAS No:
725709-44-4
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Formula:
C21H17Cl2NO4S
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Chemical Name:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
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Synonyms:
ZINC3261157;AKOS033420622;MCULE-4797432552;Z15495868;2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate;725709-44-4
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CAS No:
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Basic Attributes
450.3 g/mol
449.0255346 g/mol
Computed Properties
Molecular Weight:450.3
XLogP3:5.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:449.0255346
Monoisotopic Mass:449.0255346
Topological Polar Surface Area:84.1
Heavy Atom Count:29
Complexity:624
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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