2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid
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![2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/488a624fea1d4c26954916913579bb56.png "2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid")
2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid
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CAS No:
332358-89-1
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Formula:
C21H23NO4S
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Chemical Name:
2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid
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CAS No:
2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid Basic Attributes
385.47700
385.13477939
DTXSID70360522
2933499090
Computed Properties
Molecular Weight:385.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:385.13477939
Monoisotopic Mass:385.13477939
Topological Polar Surface Area:93.4
Heavy Atom Count:27
Complexity:564
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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