 Home > Encyclopedia > (6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

(6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

(6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure

CAS No:
846066-08-8
Formula:
C23H19N5OS2
Chemical Name:
(6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Synonyms:
ZINC9282677;STL224491;AKOS025270855;(6E)-6-{[2,5-dimethyl-1-(naphthalen-2-yl)-1H-pyrrol-3-yl]methylidene}-5-imino-2-(methylsulfanyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one;846066-08-8

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(6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Basic Attributes

Molecular Weight：

445.6 g/mol

Exact Mass：

445.10310259 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:445.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:445.10310259
Monoisotopic Mass:445.10310259
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:868
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6E)-6-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-5-imino-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Basic Attributes
Characteristics
Computed Properties

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