3-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid
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![3-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[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/a2e3e1708c69439eac5304bd922b1ff0.png "3-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid")
3-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid
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CAS No:
356075-07-5
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Formula:
C23H13ClN4O4S
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Chemical Name:
3-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid
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Synonyms:
3-(5-{(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-furyl)benzoic acid;STK025232;ZINC30828565;AKOS001660648;3-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid;SR-01000471921;SR-01000471921-1;3-(5-{(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoic acid;356075-07-5
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CAS No:
3-[5-[(Z)-[2-(2-chlorophenyl)-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]furan-2-yl]benzoic acid Basic Attributes
476.9 g/mol
476.0346038 g/mol
Computed Properties
Molecular Weight:476.9
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:476.0346038
Monoisotopic Mass:476.0346038
Topological Polar Surface Area:145
Heavy Atom Count:33
Complexity:951
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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