(6E)-6-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2475dad915994ebe9713453602306a09.png "(6E)-6-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
848923-83-1
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Formula:
C22H16FN5O2S
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Chemical Name:
(6E)-6-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC4650197;STL224398;AKOS025270762;(6E)-6-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(furan-2-yl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(E)-6-((1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(furan-2-yl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;848923-83-1
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CAS No:
(6E)-6-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
433.5 g/mol
433.10087411 g/mol
Computed Properties
Molecular Weight:433.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:433.10087411
Monoisotopic Mass:433.10087411
Topological Polar Surface Area:112
Heavy Atom Count:31
Complexity:874
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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