4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
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![4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b29a47e437144c24a9ddd9f1c97ce987.png "4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid")
4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
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CAS No:
899391-24-3
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Formula:
C20H15N3O4S
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Chemical Name:
4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid
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Synonyms:
STK590609;ZINC13540803;AKOS005513056;AKOS032395502;(E)-4-((8-ethoxy-4-imino-2-oxo-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3(4H)-ylidene)methyl)benzoic acid;4-[(E)-(8-ethoxy-4-iminio-2-oxo-2H-pyrimido[2,1-b][1,3]benzothiazol-3(4H)-ylidene)methyl]benzoate;899391-24-3
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CAS No:
4-[(E)-(8-ethoxy-4-imino-2-oxopyrimido[2,1-b][1,3]benzothiazol-3-ylidene)methyl]benzoic acid Basic Attributes
393.4 g/mol
393.07832714 g/mol
Computed Properties
Molecular Weight:393.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:393.07832714
Monoisotopic Mass:393.07832714
Topological Polar Surface Area:128
Heavy Atom Count:28
Complexity:742
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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