(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c55b623b82274a42a04893b204781f10.png "(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
713085-23-5
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Formula:
C26H22N6O3S
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Chemical Name:
(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9309777;STL032779;AKOS005640596;(6E)-6-{[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;(E)-6-((2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl)methylene)-5-imino-2-(m-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;713085-23-5
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CAS No:
(6E)-6-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-5-imino-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
498.6 g/mol
498.14740976 g/mol
Computed Properties
Molecular Weight:498.6
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:498.14740976
Monoisotopic Mass:498.14740976
Topological Polar Surface Area:145
Heavy Atom Count:36
Complexity:1040
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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