(6Z)-3-benzylsulfanyl-5-imino-6-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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![(6Z)-3-benzylsulfanyl-5-imino-6-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a642e62865ee42e7b02ad098703f7b43.png "(6Z)-3-benzylsulfanyl-5-imino-6-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one")
(6Z)-3-benzylsulfanyl-5-imino-6-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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CAS No:
683804-89-9
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Formula:
C26H23N5O3S2
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Chemical Name:
(6Z)-3-benzylsulfanyl-5-imino-6-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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Synonyms:
STK844927;ZINC31932592;AKOS001654508;(6Z)-3-(benzylsulfanyl)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;(6Z)-3-(benzylthio)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}methylene)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;683804-89-9
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CAS No:
(6Z)-3-benzylsulfanyl-5-imino-6-[[1-[2-(3-methoxyphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes
517.6 g/mol
517.12423196 g/mol
Computed Properties
Molecular Weight:517.6
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:517.12423196
Monoisotopic Mass:517.12423196
Topological Polar Surface Area:143
Heavy Atom Count:36
Complexity:917
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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