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

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

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

CAS No:
850729-96-3
Formula:
C19H12Cl2F3N5OS
Chemical Name:
(6E)-6-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Synonyms:
ZINC9290729;AKOS032392929;(E)-6-((1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;850729-96-3

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

Molecular Weight：

486.3 g/mol

Exact Mass：

485.0091711 g/mol

Characteristics

PSA：

99.1 Å²

Computed Properties

Molecular Weight:486.3
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:485.0091711
Monoisotopic Mass:485.0091711
Topological Polar Surface Area:99.1
Heavy Atom Count:31
Complexity:892
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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