 Home > Encyclopedia > 5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure

CAS No:
575465-82-6
Formula:
C19H14N4O2S2
Chemical Name:
5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Synonyms:
MLS001043270;SMR000415056;(6Z)-3-(benzylsulfanyl)-6-(4-hydroxybenzylidene)-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;3-Benzylsulfanyl-6-[1-(4-hydroxy-phenyl)-meth-(Z)-ylidene]-5-imino-5,6-dihydro-[1,2,4]thiadiazolo[4,5-a] pyrimidin-7-one;CHEMBL1453871;BDBM80949;cid_1984828;HMS2763D20;ZINC4616734;STK041342;AKOS005383628;MCULE-3294411944;5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;5-amino-3-(benzylthio)-6-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;5-amino-6-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-(phenylmethylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;5-azanyl-6-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-(phenylmethylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one;575465-82-6

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5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes

Molecular Weight：

394.5 g/mol

Exact Mass：

394.05581805 g/mol

Characteristics

PSA：

139 Å²

Computed Properties

Molecular Weight:394.5
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:394.05581805
Monoisotopic Mass:394.05581805
Topological Polar Surface Area:139
Heavy Atom Count:27
Complexity:843
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-amino-3-benzylsulfanyl-6-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Basic Attributes
Characteristics
Computed Properties

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