(6E)-6-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[[1-(5-chloro-2-methylphenyl)-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/20220811/6ccd5c91e1794288b2e30a2b576af98f.png "(6E)-6-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
structure -
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CAS No:
850244-28-9
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Formula:
C19H16ClN5OS
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Chemical Name:
(6E)-6-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC2390053;STL224250;AKOS025270617;(6E)-6-{[1-(5-chloro-2-methylphenyl)-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)-6-((1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;850244-28-9
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CAS No:
(6E)-6-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
397.9 g/mol
397.0764090 g/mol
Computed Properties
Molecular Weight:397.9
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:397.0764090
Monoisotopic Mass:397.0764090
Topological Polar Surface Area:99.1
Heavy Atom Count:27
Complexity:750
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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