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-[(3-methoxyphenyl)carbamoyl]acetamide

Names

[ CAS No. ]:
97399-36-5

[ 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-[(3-methoxyphenyl)carbamoyl]acetamide

[Synonym ]:
LS-8809
Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(((3-methoxyphenyl)amino)carbonyl)

Chemical & Physical Properties

[ Molecular Formula ]:
C25H21Br2N5O4S

[ Molecular Weight ]:
647.33800

[ Exact Mass ]:
644.96800

[ PSA ]:
150.39000

[ LogP ]:
5.38380

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB6321000
CHEMICAL NAME :
Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl )-4H-1,2,4-triazol-3- yl) thio)-N-(((3-methoxyphenyl)amino)carbonyl)-
CAS REGISTRY NUMBER :
97399-36-5
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 :
>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-[(3-methoxyphenyl)carbamoyl]acetamide
  • methyl 3,5-dibromo-2-hydroxybenzoate
  • 3,5-dibromosalicylhydrazide
  • Methyl salicylate

DownStream

Related Compounds

  • tert-butyl N-[4,5-dimethoxy-2-(1-oxopropan-2-yl)phenyl]carbamate
  • 2-(4-Bromophenyl)-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-(3-Bromophenyl)-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-(5-Bromothiophen-2-yl)-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-(4-Chlorophenyl)-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-(3-Chlorophenyl)-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-(2-Chlorophenyl)-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-(5-Chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-Cyclohexyl-5-ethyl-6-methylpyrimidine-4-carbonitrile
  • 2-Cyclopropyl-5-ethyl-6-methylpyrimidine-4-carbonitrile
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