4-[[2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoic acid
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![4-[[2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/24f47c0247374c7498da68c23c5a6889.png "4-[[2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoic acid")
4-[[2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoic acid
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CAS No:
736958-36-4
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Formula:
C21H19N3O4S
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Chemical Name:
4-[[2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoic acid
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Synonyms:
ZINC3248499;STK826345;AKOS005632845;MCULE-7233793567;SR-01000042818;SR-01000042818-1;Z56911433;4-({[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl}amino)benzoic acid;4-{2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoic acid;736958-36-4
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CAS No:
4-[[2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoic acid Basic Attributes
409.5 g/mol
409.10962727 g/mol
Computed Properties
Molecular Weight:409.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:409.10962727
Monoisotopic Mass:409.10962727
Topological Polar Surface Area:145
Heavy Atom Count:29
Complexity:708
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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