2-[(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]acetic acid
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![2-[(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]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e0f02b81051c4804b3a1fa55fb609698.png "2-[(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]acetic acid")
2-[(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]acetic acid
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CAS No:
714920-74-8
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Formula:
C23H18N4O4S2
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Chemical Name:
2-[(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]acetic acid
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Synonyms:
ZINC2605641;STK905174;AKOS005181476;ST51065853;[(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]acetic acid;2-{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}acetic acid;714920-74-8
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CAS No:
2-[(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]acetic acid Basic Attributes
478.5 g/mol
478.07694742 g/mol
Computed Properties
Molecular Weight:478.5
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:478.07694742
Monoisotopic Mass:478.07694742
Topological Polar Surface Area:151
Heavy Atom Count:33
Complexity:1090
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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