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

  • (3R)-3-(2-{4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1H-1,2,3-triazol-1-yl}acetamido)butanoic acid
  • rac-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-5-oxopentanoic acid
  • rac-(1R,2R)-2-(2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
  • rac-2-{[(1R,3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]formamido}-3,3-dimethylbutanoic acid
  • 2-(2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanamido]methyl}-1,3-thiazol-4-yl)acetic acid
  • 5-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetamido]methyl}-1,3-oxazole-4-carboxylic acid
  • 5-{[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]methyl}-1,3-oxazole-4-carboxylic acid
  • 5-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]methyl}-1,3-oxazole-4-carboxylic acid
  • 5-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pent-4-enamido]methyl}-1,3-oxazole-4-carboxylic acid
  • 5-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylbutanamido]methyl}-1,3-oxazole-4-carboxylic acid