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

Names

[ CAS No. ]:
97399-32-1

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

[Synonym ]:
Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(((4-ethoxyphenyl)amino)carbonyl)
LS-8813

Chemical & Physical Properties

[ Molecular Formula ]:
C25H21Br2N5O4S

[ Molecular Weight ]:
647.33800

[ Exact Mass ]:
644.96800

[ PSA ]:
146.90000

[ LogP ]:
5.52490

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB6326000
CHEMICAL NAME :
Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4 -triazol-3-yl)thio)-N- (((4-ethoxyphenyl)amino)carbonyl)-
CAS REGISTRY NUMBER :
97399-32-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H21-Br2-N5-O4-S
MOLECULAR WEIGHT :
647.39

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 :
800 mg/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

  • methyl 3,5-dibromo-2-hydroxybenzoate
  • 3,5-dibromosalicylhydrazide
  • Methyl salicylate

DownStream

Related Compounds

  • methyl 4-bromo-1-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
  • 4-Fluoro-2,3-dimethylphenyl methanesulfonate
  • (2S)-1-(2-fluoro-3-methoxyphenyl)propan-2-amine
  • 4-((Cyclopropyl(methyl)amino)methyl)bicyclo[2.2.2]octan-1-amine
  • 4-Amino-3-morpholin-4-yl-benzoic acid tert-butyl ester
  • (S)-1-(3-Chloro-2-methylphenyl)-2-methoxyethan-1-amine
  • 2-fluoro-4-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-1,2,4-triazol-3-yl)phenol
  • (S)-6-bromo-N2-(1-(imidazo[1,2-a]pyridin-6-yl)ethyl)pyrazine-2,3-diamine
  • 9H-Fluoren-9-ylmethyl N-(azetidin-3-yl)-N-methyl-carbamate
  • 1-(6-Bromopyridin-2-yl)-2,2,2-trifluoroethane-1,1-diol
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