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

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

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

CAS No:
471895-42-8
Formula:
C27H25N5OS2
Chemical Name:
(6E)-2-benzylsulfanyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Synonyms:
ZINC9282647;AKOS032388381;(E)-2-(benzylthio)-6-((1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;471895-42-8

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(6E)-2-benzylsulfanyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-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
XLogP3:6.6
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:930
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: etoricoxib; dimethyl mercury; methyl ethyl ketoxime; magnesium acetate; condyloma acuminatum; formula carbon disulfide

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

Basic Attributes
Characteristics
Computed Properties

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