2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide

Names

[ CAS No. ]:
97399-34-3

[ Name ]:
2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)acetamide

[Synonym ]:
Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-((phenylamino)carbonyl)
LS-8812

Chemical & Physical Properties

[ Molecular Formula ]:
C24H19Br2N5O3S

[ Molecular Weight ]:
617.31200

[ Exact Mass ]:
614.95800

[ PSA ]:
141.16000

[ LogP ]:
5.37520

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB6324000
CHEMICAL NAME :
Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl )-4H-1,2,4-triazol-3- yl) thio)-N-((phenylamino)carbonyl)-
CAS REGISTRY NUMBER :
97399-34-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H19-Br2-N5-O3-S
MOLECULAR WEIGHT :
617.36

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 20,190,1985

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Chloro-N-(phenylcarbamoyl)acetamide
  • methyl 3,5-dibromo-2-hydroxybenzoate
  • 3,5-dibromosalicylhydrazide
  • Methyl salicylate

DownStream

Related Compounds

  • Methyl 3-bromo-2-fluoro-6-(trifluoromethyl)benzoate
  • 6-Formyl-1H-indole-2-carbonitrile
  • Ethyl 2-azaspiro[3.3]heptane-5-carboxylate
  • 1-{6-methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperidine
  • 1-{5-methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperidine
  • 1-{7-methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperidine
  • ethyl 3,7-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
  • 7-(Difluoromethyl)-3-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
  • 2-{3-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-7-yl}pyridine
  • ethyl 3-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
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