4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid
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![4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7a59aa99f18f4426be52fa76531a32e8.png "4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid")
4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid
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CAS No:
896842-34-5
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Formula:
C18H11N5O3S
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Chemical Name:
4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid
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Synonyms:
STK574837;STK989217;ZINC49735079;AKOS005499619;AKOS032394936;(E)-4-((5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)benzoic acid;4-{(E)-[5-iminio-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}benzoate;4-{(E)-[5-imino-7-oxo-2-(pyridin-4-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}benzoic acid;896842-34-5
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CAS No:
4-[(E)-(5-imino-7-oxo-2-pyridin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoic acid Basic Attributes
377.4 g/mol
377.05826040 g/mol
Computed Properties
Molecular Weight:377.4
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:377.05826040
Monoisotopic Mass:377.05826040
Topological Polar Surface Area:144
Heavy Atom Count:27
Complexity:761
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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