(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bb4c0f2888fe4332b2b0b081ec29f402.png "(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
840482-95-3
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Formula:
C28H27N5O2S2
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Chemical Name:
(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC4715977;STK554858;AKOS005481408;(6Z)-2-(benzylsulfanyl)-5-imino-6-[(1-{2-[4-(propan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(Z)-2-(benzylthio)-5-imino-6-((1-(2-(4-isopropylphenoxy)ethyl)-1H-pyrrol-2-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;840482-95-3
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CAS No:
(6Z)-2-benzylsulfanyl-5-imino-6-[[1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
529.7 g/mol
529.16061747 g/mol
Computed Properties
Molecular Weight:529.7
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:529.16061747
Monoisotopic Mass:529.16061747
Topological Polar Surface Area:134
Heavy Atom Count:37
Complexity:935
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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