(6E)-6-[(4-fluorophenyl)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-[(4-fluorophenyl)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/20220811/0738bc73ba0642e194698bfd5a255adf.png "(6E)-6-[(4-fluorophenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[(4-fluorophenyl)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:
896817-94-0
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Formula:
C18H11FN4O2S
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Chemical Name:
(6E)-6-[(4-fluorophenyl)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:
STK589604;STK989216;ZINC18022383;AKOS005512114;AKOS032394653;(6E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(E)-6-(4-fluorobenzylidene)-2-(4-hydroxyphenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;4-[(6E)-6-(4-fluorobenzylidene)-5-iminio-7-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenolate;896817-94-0
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CAS No:
(6E)-6-[(4-fluorophenyl)methylidene]-5-imino-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
366.4 g/mol
366.05867494 g/mol
Computed Properties
Molecular Weight:366.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:366.05867494
Monoisotopic Mass:366.05867494
Topological Polar Surface Area:111
Heavy Atom Count:26
Complexity:829
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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