(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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CAS No:
849007-17-6
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Formula:
C21H21N5OS2
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Chemical Name:
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC9235688;STL224356;AKOS025270721;(6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;849007-17-6
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CAS No:
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
423.6 g/mol
423.11875266 g/mol
Computed Properties
Molecular Weight:423.6
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:423.11875266
Monoisotopic Mass:423.11875266
Topological Polar Surface Area:124
Heavy Atom Count:29
Complexity:771
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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