(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0f4640cfb05949d79bb0e4201414d290.png "(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
structure -
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CAS No:
850244-71-2
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Formula:
C25H19ClFN5OS
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Chemical Name:
(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9290563;AKOS032392862;(E)-6-((1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(o-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;850244-71-2
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CAS No:
(6E)-6-[[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
492.0 g/mol
491.0982873 g/mol
Computed Properties
Molecular Weight:492.0
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:491.0982873
Monoisotopic Mass:491.0982873
Topological Polar Surface Area:99.1
Heavy Atom Count:34
Complexity:954
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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