2-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
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![2-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2c8e59b5bba04d3a9db4b8863253ea52.png "2-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid")
2-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
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CAS No:
370576-94-6
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Formula:
C22H21BrN6O4S
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Chemical Name:
2-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
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Synonyms:
Oprea1_747730;MLS000777451;CHEMBL1406238;HMS2752E04;ZINC2316700;STK540435;AKOS001615900;MCULE-7523907670;SMR000413845;SR-01000448080;SR-01000448080-1;2-(4-{[(4-bromobenzoyl)amino]carbonothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid;2-(4-{[(4-bromophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid;2-[4-(4-Bromo-benzoylaminocarbothioyl)-piperazin-1-yl]-8-ethyl-5-oxo-5,8-dihydro-pyrido[2,3-d]pyrimidi ne-6-carboxylic acid;370576-94-6
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CAS No:
2-[4-[(4-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid Basic Attributes
545.4 g/mol
544.05284 g/mol
Computed Properties
Molecular Weight:545.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:544.05284
Monoisotopic Mass:544.05284
Topological Polar Surface Area:151
Heavy Atom Count:34
Complexity:856
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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