2-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
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![2-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9ce46dca775f40e8831181dcfcba7c24.png "2-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid")
2-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
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CAS No:
438623-35-9
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Formula:
C22H21BrN6O4S
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Chemical Name:
2-[4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
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Synonyms:
Oprea1_712140;ZINC2190974;STK766151;AKOS001749026;MCULE-4439995147;2-(4-{[(2-bromobenzoyl)amino]carbothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid;2-(4-{[(2-bromobenzoyl)amino]carbothioyl}piperazino)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid;2-(4-{[(2-bromophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid;438623-35-9
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CAS No:
2-[4-[(2-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:864
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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