2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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CAS No:
1011412-52-4
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Formula:
C21H22ClNO5
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Chemical Name:
2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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Synonyms:
2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid;CTK6H7965;KS-00001S9T;AKOS005069450;11R-0266;4-Isoquinolinecarboxylic acid, 2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-1-oxo-
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CAS No:
2-(3-chloropropyl)-3-(3,4-dimethoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid Basic Attributes
403.85608
403.119
Computed Properties
Molecular Weight:403.9
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:403.1186505
Monoisotopic Mass:403.1186505
Topological Polar Surface Area:76.1
Heavy Atom Count:28
Complexity:559
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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