1-ethyl-6-fluoro-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
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![1-ethyl-6-fluoro-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4ca51fdba5164dc999fccda240953b42.png "1-ethyl-6-fluoro-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid")
1-ethyl-6-fluoro-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
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CAS No:
487039-61-2
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Formula:
C24H25FN4O3S
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Chemical Name:
1-ethyl-6-fluoro-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
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Synonyms:
CHEMBL1701218;KUC105226N;ZINC2324599;KSC-13-48;STK998750;AKOS001695295;MCULE-5252512828;1-ethyl-6-fluoro-7-(4-{[(2-methylphenyl)amino]carbonothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;1-ethyl-6-fluoro-7-{4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;487039-61-2
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CAS No:
1-ethyl-6-fluoro-7-[4-[(2-methylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Basic Attributes
468.5 g/mol
468.16314001 g/mol
Computed Properties
Molecular Weight:468.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:468.16314001
Monoisotopic Mass:468.16314001
Topological Polar Surface Area:108
Heavy Atom Count:33
Complexity:801
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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