(6E)-2-benzylsulfanyl-6-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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(6E)-2-benzylsulfanyl-6-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
847271-05-0
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Formula:
C27H25N5OS2
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Chemical Name:
(6E)-2-benzylsulfanyl-6-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9158453;AKOS032388901;(E)-2-(benzylthio)-6-((1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;847271-05-0
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CAS No:
(6E)-2-benzylsulfanyl-6-[[1-(2,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
499.7 g/mol
499.15005279 g/mol
Computed Properties
Molecular Weight:499.7
XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:499.15005279
Monoisotopic Mass:499.15005279
Topological Polar Surface Area:124
Heavy Atom Count:35
Complexity:940
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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