 Home > Encyclopedia > (6E)-3-benzylsulfanyl-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

(6E)-3-benzylsulfanyl-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

(6E)-3-benzylsulfanyl-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure

CAS No:
896844-09-0
Formula:
C27H25N5OS2
Chemical Name:
(6E)-3-benzylsulfanyl-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Synonyms:
ZINC13174845;AKOS032394997;(E)-3-(benzylthio)-6-((1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one;896844-09-0

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(6E)-3-benzylsulfanyl-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes

Molecular Weight：

499.7 g/mol

Exact Mass：

499.15005279 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:499.7
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:499.15005279
Monoisotopic Mass:499.15005279
Topological Polar Surface Area:124
Heavy Atom Count:35
Complexity:940
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6E)-3-benzylsulfanyl-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Basic Attributes
Characteristics
Computed Properties

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