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

[ 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

2-[(3-Methylazetidin-3-yl)oxy]quinoxaline
4-(Quinoxalin-2-yl)oxane-2,6-dione
3-[(1,3-dimethylcyclobutyl)carbamoyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[2-(5-methyl-1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid
3-[(3,3-difluorocyclobutyl)(methyl)carbamoyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
rac-2-({1-[(1R,2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]-N-methylformamido}oxy)acetic acid
2-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-hydroxy-N-methylbutanamido]oxy}acetic acid
rac-4-{[(1R,3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]formamido}-3-methoxybutanoic acid
(2S,4R)-1-[(1RS,3SR)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
3-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxypropanamido]-1-methyl-1H-pyrazole-4-carboxylic acid

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