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

Names

[ CAS No. ]:
97399-30-9

[ 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-[(2-methoxyphenyl)carbamoyl]acetamide

[Synonym ]:
LS-8814
Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(((2-methoxyphenyl)amino)carbonyl)

Chemical & Physical Properties

[ Molecular Formula ]:
C24H19Br2N5O4S

[ Molecular Weight ]:
633.31200

[ Exact Mass ]:
630.95200

[ PSA ]:
150.39000

[ LogP ]:
5.07540

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB6328000
CHEMICAL NAME :
Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4 -triazol-3-yl)thio)-N- (((2-methoxyphenyl)amino)carbonyl)-
CAS REGISTRY NUMBER :
97399-30-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C24-H19-Br2-N5-O4-S
MOLECULAR WEIGHT :
633.36

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-[(2-methoxyphenyl)carbamoyl]acetamide
  • methyl 3,5-dibromo-2-hydroxybenzoate
  • 3,5-dibromosalicylhydrazide
  • Methyl salicylate

DownStream

Related Compounds

  • Naphthalene-2-sulfonic acid [6-(2-morpholin-4-yl-2-oxo-ethyl)-pyridin-2-yl]-amide
  • N2,N4,N6-Tris[3-(1H-pyrazol-1-yl)phenyl]-1,3,5-triazine-2,4,6-triamine
  • 1-(3-Chloro-2-fluorophenyl)-3-oxocyclobutane-1-carbonitrile
  • [6-(Biphenyl-4-sulfonylamino)-pyridin-2-yl]acetic acid ethyl ester
  • 2-[6-(biphenyl-4-sulfonylamino)-pyridin-2-yl]-N-ethyl-acetamide
  • N-(1-(4-bromo-2-fluorophenyl)ethyl)acetamide
  • 8-Bromooctylphosphonicacid
  • 2-Ethyl-N,5-dimethylpyrimidin-4-amine
  • 3-Bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
  • 5,6,7,8-Tetrahydro-1-phenylisoquinoline
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