(3S)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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(3S)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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CAS No:
1212459-02-3
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Formula:
C20H23NO4S
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Chemical Name:
(3S)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Synonyms:
ZINC3267942;EN300-87537;(3S)-2-(2,3,5,6-Tetramethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;1212459-02-3
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CAS No:
(3S)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Basic Attributes
373.5 g/mol
373.13477939 g/mol
Computed Properties
Molecular Weight:373.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:373.13477939
Monoisotopic Mass:373.13477939
Topological Polar Surface Area:83.1
Heavy Atom Count:26
Complexity:614
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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