3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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![3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c416594687a54dbbb391b0a0508573f8.png "3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid")
3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
846587-72-2
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Formula:
C22H13N5O4S
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Chemical Name:
3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
CHEMBL400145;C22H13N5O4S;ZINC9158047;BDBM50237951;STK568018;AKOS005493497;AKOS032388781;(Z)-3-(5-((5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl)furan-2-yl)benzoic acid;3-(5-{(Z)-[5-iminio-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate;3-{5-[5-imino-7-oxo-2-pyridin-3-yl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-(6Z)-ylidenemethyl]-furan-2-yl}-benzoic acid;846587-72-2
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CAS No:
3-[5-[(Z)-(5-imino-7-oxo-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
443.4 g/mol
443.06882509 g/mol
Computed Properties
Molecular Weight:443.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:443.06882509
Monoisotopic Mass:443.06882509
Topological Polar Surface Area:158
Heavy Atom Count:32
Complexity:916
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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