(6E)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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![(6E)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ee32df612994488694de105be90ff3e4.png "(6E)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
(6E)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
structure -
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CAS No:
845650-09-1
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Formula:
C20H19N5OS2
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Chemical Name:
(6E)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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Synonyms:
ZINC5179597;STL145936;AKOS005715158;(6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-2-(ethylsulfanyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;845650-09-1
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CAS No:
(6E)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-2-ethylsulfanyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes
409.5 g/mol
409.10310259 g/mol
Computed Properties
Molecular Weight:409.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:409.10310259
Monoisotopic Mass:409.10310259
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:756
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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