4-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
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![4-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/db4d6f8f88b644eb81b80d70ab75e8f6.png "4-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid")
4-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
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CAS No:
608496-77-1
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Formula:
C20H22N4O4S2
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Chemical Name:
4-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
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Synonyms:
4-[(5Z)-5-({2-[(2-methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid;ZINC2258019;STK881258;AKOS005180262;ST51065779;(Z)-4-(5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid;4-(5-{(Z)-1-[2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolan-3-yl)butanoic acid;4-[5-({2-[(2-methylpropyl)amino]-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3-yl)}m ethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid;608496-77-1
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CAS No:
4-[(5Z)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Basic Attributes
446.5 g/mol
446.10824754 g/mol
Computed Properties
Molecular Weight:446.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:446.10824754
Monoisotopic Mass:446.10824754
Topological Polar Surface Area:160
Heavy Atom Count:30
Complexity:947
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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