3-(1,3-BENZODIOXOL-5-YL)-2-(3-CHLOROPROPYL)-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
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3-(1,3-BENZODIOXOL-5-YL)-2-(3-CHLOROPROPYL)-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
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CAS No:
385383-35-7
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Formula:
C20H18ClNO5
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Chemical Name:
3-(1,3-BENZODIOXOL-5-YL)-2-(3-CHLOROPROPYL)-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
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Synonyms:
3-(1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid;385383-35-7;CTK6H7967;KS-00001S9S;AKOS005069449;11R-0265;3-(2H-1,3-benzodioxol-5-yl)-2-(3-chloropropyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
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CAS No:
3-(1,3-BENZODIOXOL-5-YL)-2-(3-CHLOROPROPYL)-1-OXO-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID Basic Attributes
387.81
387.087
Computed Properties
Molecular Weight:387.8
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:387.0873504
Monoisotopic Mass:387.0873504
Topological Polar Surface Area:76.1
Heavy Atom Count:27
Complexity:573
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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