(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/223973bad99944b6be1755b8de28acce.png "(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
848280-26-2
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Formula:
C24H20N6OS
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Chemical Name:
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9185272;STL240849;AKOS025279340;(6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(E)-6-((1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;848280-26-2
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CAS No:
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
440.5 g/mol
440.14193046 g/mol
Computed Properties
Molecular Weight:440.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:440.14193046
Monoisotopic Mass:440.14193046
Topological Polar Surface Area:112
Heavy Atom Count:32
Complexity:861
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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