(6E)-2-(2-fluorophenyl)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-2-(2-fluorophenyl)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d3ddd959d2894d5c9931f8b0d31010fc.png "(6E)-2-(2-fluorophenyl)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-2-(2-fluorophenyl)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
848998-10-7
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Formula:
C24H17F2N5OS
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Chemical Name:
(6E)-2-(2-fluorophenyl)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9234566;STL224632;AKOS025270994;(6E)-2-(2-fluorophenyl)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(E)-2-(2-fluorophenyl)-6-((1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;848998-10-7
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CAS No:
(6E)-2-(2-fluorophenyl)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
461.5 g/mol
461.11218768 g/mol
Computed Properties
Molecular Weight:461.5
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:461.11218768
Monoisotopic Mass:461.11218768
Topological Polar Surface Area:99.1
Heavy Atom Count:33
Complexity:921
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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