(3S)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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(3S)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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CAS No:
1212492-46-0
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Formula:
C18H18BrNO5S
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Chemical Name:
(3S)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Synonyms:
ZINC3268074;EN300-87533;(3S)-2-(5-Bromo-2-ethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;1212492-46-0
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CAS No:
(3S)-2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Basic Attributes
440.3 g/mol
439.00891 g/mol
Computed Properties
Molecular Weight:440.3
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:439.00891
Monoisotopic Mass:439.00891
Topological Polar Surface Area:92.3
Heavy Atom Count:26
Complexity:607
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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