4-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-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-(3,4-dihydro-1H-isoquinolin-2-yl)-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/20220811/01214a35fd8c4403a9ba8ad9dc91293d.png "4-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid")
4-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
structure -
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CAS No:
714228-31-6
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Formula:
C25H22N4O4S2
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Chemical Name:
4-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-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:
ZINC1813207;STK905181;AKOS005181624;ST50960375;4-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid;4-{4-oxo-5-[(4-oxo-2-(2-1,2,3,4-tetrahydroisoquinolyl)(5-hydropyridino[1,2-a]p yrimidin-3-yl))methylene]-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid;714228-31-6
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CAS No:
4-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Basic Attributes
506.6 g/mol
506.10824754 g/mol
Computed Properties
Molecular Weight:506.6
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:506.10824754
Monoisotopic Mass:506.10824754
Topological Polar Surface Area:151
Heavy Atom Count:35
Complexity:1120
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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