(6Z)-3-benzylsulfanyl-6-[[1-[2-(4-chlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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![(6Z)-3-benzylsulfanyl-6-[[1-[2-(4-chlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2bace48ec51a4e8dadb0c483d21c7b64.png "(6Z)-3-benzylsulfanyl-6-[[1-[2-(4-chlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one")
(6Z)-3-benzylsulfanyl-6-[[1-[2-(4-chlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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CAS No:
683804-91-3
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Formula:
C25H20ClN5O2S2
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Chemical Name:
(6Z)-3-benzylsulfanyl-6-[[1-[2-(4-chlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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Synonyms:
STK555469;AKOS001654672;ZINC100806736;(6Z)-3-(benzylsulfanyl)-6-({1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;(6Z)-3-(benzylthio)-6-({1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}methylene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;683804-91-3
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CAS No:
(6Z)-3-benzylsulfanyl-6-[[1-[2-(4-chlorophenoxy)ethyl]pyrrol-2-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes
522.0 g/mol
521.0746949 g/mol
Computed Properties
Molecular Weight:522.0
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:521.0746949
Monoisotopic Mass:521.0746949
Topological Polar Surface Area:134
Heavy Atom Count:35
Complexity:896
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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