1-ethyl-6-fluoro-4-oxo-7-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
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![1-ethyl-6-fluoro-4-oxo-7-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7d793a31ad054e318f7e6e1abbcf2646.png "1-ethyl-6-fluoro-4-oxo-7-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid")
1-ethyl-6-fluoro-4-oxo-7-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
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CAS No:
497940-10-0
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Formula:
C24H22F4N4O3S
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Chemical Name:
1-ethyl-6-fluoro-4-oxo-7-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
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Synonyms:
1-ethyl-6-fluoro-4-oxo-7-(4-{[2-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid;CHEMBL1716530;SCHEMBL15281350;KUC105228N;KSC-4-50;ZINC2347223;STK333193;AKOS001491066;MCULE-1890913368;SR-03000002682;SR-03000002682-1;1-ethyl-6-fluoro-4-oxo-7-[4-({[2-(trifluoromethyl)phenyl]amino}carbonothioyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid;497940-10-0
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CAS No:
1-ethyl-6-fluoro-4-oxo-7-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Basic Attributes
522.5 g/mol
522.13487440 g/mol
Computed Properties
Molecular Weight:522.5
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:522.13487440
Monoisotopic Mass:522.13487440
Topological Polar Surface Area:108
Heavy Atom Count:36
Complexity:893
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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