2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid
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![2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e49906aeb7f345e184f3e21c4fdc422a.png "2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid")
2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid
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CAS No:
303088-71-3
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Formula:
C20H19BrN2O3S
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Chemical Name:
2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid
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Synonyms:
NSC705927;Oprea1_759875;CHEMBL1971748;STK524933;AKOS005458740;NSC-705927;{[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetic acid;2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid;NCI60_037738;((4-(4-Bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl)thio)acetic acid;303088-71-3
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CAS No:
2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid Basic Attributes
447.3 g/mol
446.02998 g/mol
705927
Computed Properties
Molecular Weight:447.3
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:446.02998
Monoisotopic Mass:446.02998
Topological Polar Surface Area:116
Heavy Atom Count:27
Complexity:769
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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