(4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
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(4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
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CAS No:
64036-07-3
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Formula:
C20H19NO7
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Chemical Name:
(4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
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Synonyms:
MLS003171134;64036-07-3;NSC354972;DTXSID80320096;NSC-354972
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CAS No:
(4S)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Basic Attributes
385.4 g/mol
385.11615195 g/mol
354972
DTXSID80320096
Computed Properties
Molecular Weight:385.4
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:385.11615195
Monoisotopic Mass:385.11615195
Topological Polar Surface Area:94.5
Heavy Atom Count:28
Complexity:613
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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