(6E)-6-[[1-(2-ethylphenyl)-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-ethylphenyl)-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/c8724e81260b49939af39534012f2e51.png "(6E)-6-[[1-(2-ethylphenyl)-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-ethylphenyl)-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:
667880-76-4
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Formula:
C24H21N5O2S
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Chemical Name:
(6E)-6-[[1-(2-ethylphenyl)-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:
6-{[1-(2-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(2-furyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;STK712724;ZINC13811153;AKOS005523837;AO-299/41879151;(6E)-6-{[1-(2-ethylphenyl)-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-ethylphenyl)-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;667880-76-4
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CAS No:
(6E)-6-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(furan-2-yl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
443.5 g/mol
443.14159610 g/mol
Computed Properties
Molecular Weight:443.5
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:443.14159610
Monoisotopic Mass:443.14159610
Topological Polar Surface Area:112
Heavy Atom Count:32
Complexity:884
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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