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

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

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

CAS No:
533917-54-3
Formula:
C25H21N5OS2
Chemical Name:
(6E)-2-benzylsulfanyl-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Synonyms:
ZINC9282589;AKOS032387987;(E)-2-(benzylthio)-6-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one;533917-54-3

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

Molecular Weight：

471.6 g/mol

Exact Mass：

471.11875266 g/mol

Characteristics

PSA：

124 Å²

Computed Properties

Molecular Weight:471.6
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:471.11875266
Monoisotopic Mass:471.11875266
Topological Polar Surface Area:124
Heavy Atom Count:33
Complexity:872
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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