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

[ 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

(2S,4R)-1-[(2S)-2-(11-aminoundecanoylamino)-3,3-dimethyl-butanoyl]-4-benzyloxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
tert-butyl N-[2-[2-[2-[2-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
(2S,4R)-1-[(2S)-2-(18-aminooctadecanoylamino)-3,3-dimethyl-butanoyl]-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethyl-butanoyl]-N-[[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]-4-(4-methylthiazol-5-yl)phenyl]methyl]-4-hydroxy-pyrrolidine-2-carboxamide
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-[2-[3-[[(1S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methylthiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]amino]-3-oxo-propoxy]ethoxy]ethyl]carbamate
(2S,4R)-N-[(1S)-3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-1-[4-(4-methylthiazol-5-yl)phenyl]-3-oxo-propyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide
(2S,4R)-4-hydroxy-1-[(2S)-2-[6-[5-(6-iodohexoxy)pentoxy]hexanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
(R)-1-(2-Aminopropyl)cyclohexan-1-ol
4-(1-Ethoxyethenyl)-2-fluoro-5-methylaniline
(9H-fluoren-9-yl)methyl 3-[(dimethylamino)methyl]-3-hydroxypyrrolidine-1-carboxylate

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