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2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one
2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one
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![2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/63f440f9a30b46ddbb51836c7f2e6ec9.png "2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one")
2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one
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CAS No:
499185-68-1
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Formula:
C25H17F3N2O4
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Chemical Name:
2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one
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Synonyms:
AKOS001052568;MCULE-6217415315;Z31274927;2-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-1,2,3,4-tetrahydroisoquinoline-1,3-dione;499185-68-1
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CAS No:
2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one Basic Attributes
466.4 g/mol
466.11404151 g/mol
Computed Properties
Molecular Weight:466.4
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:466.11404151
Monoisotopic Mass:466.11404151
Topological Polar Surface Area:71.4
Heavy Atom Count:34
Complexity:830
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]isoquinolin-1-one
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