(6E)-6-[[1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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/b699270d1c214501ad4cd847c99f6a4d.png "(6E)-6-[[1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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:
847184-53-6
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Formula:
C23H16Cl2N6OS
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Chemical Name:
(6E)-6-[[1-(3,4-dichlorophenyl)-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:
ZINC9161217;STL240861;AKOS025279351;(6E)-6-{[1-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-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;847184-53-6
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CAS No:
(6E)-6-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
495.4 g/mol
494.0483357 g/mol
Computed Properties
Molecular Weight:495.4
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:494.0483357
Monoisotopic Mass:494.0483357
Topological Polar Surface Area:112
Heavy Atom Count:33
Complexity:923
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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