(6Z)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(2-chlorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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(6Z)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(2-chlorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
848920-81-0
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Formula:
C25H20ClN5OS
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Chemical Name:
(6Z)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(2-chlorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9210684;STL224744;AKOS025271106;(6Z)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-(2-chlorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;848920-81-0
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CAS No:
(6Z)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(2-chlorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
474.0 g/mol
473.1077091 g/mol
Computed Properties
Molecular Weight:474.0
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:473.1077091
Monoisotopic Mass:473.1077091
Topological Polar Surface Area:99.1
Heavy Atom Count:33
Complexity:895
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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