1-ethyl-6-fluoro-7-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
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![1-ethyl-6-fluoro-7-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3b255125cd424ad5b85e40ff4d077379.png "1-ethyl-6-fluoro-7-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid")
1-ethyl-6-fluoro-7-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
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CAS No:
496772-69-1
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Formula:
C25H25FN4O4S
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Chemical Name:
1-ethyl-6-fluoro-7-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
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Synonyms:
MLS000777987;SMR000414381;1-Ethyl-6-fluoro-7-[4-(2-methyl-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3- carboxylic acid;CHEMBL1353170;BDBM94915;cid_1917402;HMS2759G17;ZINC2297250;STK543636;AKOS005473153;MCULE-5155986079;1-ethyl-6-fluoro-7-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid;1-ethyl-6-fluoro-4-keto-7-[4-(o-toluoylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid;1-ethyl-6-fluoranyl-7-[4-[(2-methylphenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid;1-ethyl-6-fluoro-7-(4-{[(2-methylphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;1-ethyl-6-fluoro-7-[4-[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid;496772-69-1
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CAS No:
1-ethyl-6-fluoro-7-[4-[(2-methylbenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Basic Attributes
496.6 g/mol
496.15805463 g/mol
Computed Properties
Molecular Weight:496.6
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:496.15805463
Monoisotopic Mass:496.15805463
Topological Polar Surface Area:125
Heavy Atom Count:35
Complexity:891
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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