3-[5-[(Z)-(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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![3-[5-[(Z)-(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b311f724ad844b1cafade9766195e1a9.png "3-[5-[(Z)-(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid")
3-[5-[(Z)-(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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CAS No:
585561-11-1
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Formula:
C24H16N4O4S2
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Chemical Name:
3-[5-[(Z)-(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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Synonyms:
3-(5-{(Z)-[3-(benzylsulfanyl)-5-imino-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoic acid;STK064420;STL038724;ZINC30708156;AKOS005388130;AKOS005692714;3-(5-{(Z)-[3-(benzylsulfanyl)-5-iminio-7-oxo-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate;585561-11-1
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CAS No:
3-[5-[(Z)-(3-benzylsulfanyl-5-imino-7-oxo-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid Basic Attributes
488.5 g/mol
488.06129735 g/mol
Computed Properties
Molecular Weight:488.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:488.06129735
Monoisotopic Mass:488.06129735
Topological Polar Surface Area:170
Heavy Atom Count:34
Complexity:943
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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