(6E)-6-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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(6E)-6-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
848930-69-8
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Formula:
C25H21N5OS
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Chemical Name:
(6E)-6-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9232956;AKOS032390602;(E)-6-((2,5-dimethyl-1-(o-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;848930-69-8
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CAS No:
(6E)-6-[[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
439.5 g/mol
439.14668148 g/mol
Computed Properties
Molecular Weight:439.5
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:439.14668148
Monoisotopic Mass:439.14668148
Topological Polar Surface Area:99.1
Heavy Atom Count:32
Complexity:874
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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