(6Z)-3-benzylsulfanyl-6-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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![(6Z)-3-benzylsulfanyl-6-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8bc02fe7090f4d4b98a0372211e93f7f.png "(6Z)-3-benzylsulfanyl-6-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one")
(6Z)-3-benzylsulfanyl-6-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
structure -
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CAS No:
585558-25-4
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Formula:
C24H18FN5OS2
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Chemical Name:
(6Z)-3-benzylsulfanyl-6-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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Synonyms:
C24H18FN5OS2;ZINC9190453;STK828364;AKOS001653921;(6Z)-3-(benzylsulfanyl)-6-{[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;(6Z)-3-(benzylthio)-6-{[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]methylene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;585558-25-4
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CAS No:
(6Z)-3-benzylsulfanyl-6-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes
475.6 g/mol
475.09368072 g/mol
Computed Properties
Molecular Weight:475.6
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:475.09368072
Monoisotopic Mass:475.09368072
Topological Polar Surface Area:124
Heavy Atom Count:33
Complexity:861
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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