N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide
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![N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/95753471d4a34801b822e5f02ae4b2d5.png "N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide")
N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide
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CAS No:
159034-84-1
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Formula:
C31H35N3O3S
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Chemical Name:
N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide
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Synonyms:
Cka 1303; 2-(N-(Hydroxyethyl)-N-(5-isoquinolinesulfony)amino)-N-(3,4,5-trimethoxycinnamyl)-N-methylbenzylamine;
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CAS No:
N-(2-hydroxyethyl)-N-[2-[[methyl-[(E)-3-(3,4,5-trimethylphenyl)prop-2-enyl]amino]methyl]phenyl]isoquinoline-5-sulfonamide Basic Attributes
529.69300
529.23991316
Drug Information
2-(N-(hydroxyethyl)-N-(5-isoquinolinesulfony)amino)-N-(3,4,5-trimethoxycinnamyl)-N-methylbenzylamine
Computed Properties
Molecular Weight:529.7
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:529.23991316
Monoisotopic Mass:529.23991316
Topological Polar Surface Area:82.1
Heavy Atom Count:38
Complexity:847
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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