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

  • (4-Methoxy-1H-indazol-5-yl)boronic acid
  • 4-Methoxythiophen-3-amine hydrochloride
  • 6-Methoxy-5-(trifluoromethyl)pyridin-3-ol
  • 8-Chloro-3,4-dihydro-1,7-naphthyridin-2(1H)-one
  • 8-Chloroisoquinoline-1-carboxylic acid
  • 2-(1H-indol-3-yl)-1-(3-(pyrimidin-2-ylamino)azetidin-1-yl)ethanone
  • 6-Bromo-3-chloro-1,8-naphthyridin-4-OL
  • (E)-1-(3-Methoxyphenyl)ethanone O-acetyl oxime
  • 5-Bromo-4-fluorothiophene-3-carboxamide
  • 5-Bromo-4-fluorothiophene-3-carbonitrile
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