(6E)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/018416aaaeb84edebcd343cbd96bfbf0.png "(6E)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
865143-13-1
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Formula:
C20H16N4O4S
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Chemical Name:
(6E)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
STK595861;ZINC18119324;AKOS005517533;AKOS032395461;(E)-6-(3,4-dimethoxybenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;4-[(6E)-6-(3,4-dimethoxybenzylidene)-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenolate;865143-13-1
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CAS No:
(6E)-6-[(3,4-dimethoxyphenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
408.4 g/mol
408.08922618 g/mol
Computed Properties
Molecular Weight:408.4
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:408.08922618
Monoisotopic Mass:408.08922618
Topological Polar Surface Area:129
Heavy Atom Count:29
Complexity:899
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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