7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
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![7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bb206d7c3fec428f9a98495003a044ed.png "7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid")
7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
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CAS No:
369404-11-5
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Formula:
C25H24ClFN4O4S
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Chemical Name:
7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
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Synonyms:
CHEMBL4160963;C25H24ClFN4O4S;Oprea1_718752;ZINC2316316;BDBM50418362;STK539966;AKOS001673023;MCULE-4579815867;SR-01000505938;SR-01000505938-1;369404-11-5;7-(4-{[(4-chlorophenyl)acetyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;7-[4-({[(4-chlorophenyl)acetyl]amino}carbonothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
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CAS No:
7-[4-[[2-(4-chlorophenyl)acetyl]carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Basic Attributes
531.0 g/mol
530.1190823 g/mol
Computed Properties
Molecular Weight:531.0
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:530.1190823
Monoisotopic Mass:530.1190823
Topological Polar Surface Area:125
Heavy Atom Count:36
Complexity:905
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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