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

  • Erythrose, 2-O-|A-D-glucopyranosyl-
  • azanium;(2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
  • (2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate dihydrate
  • (R)-2-Amino-2-(4-(trifluoromethyl)phenyl)acetic acid hydrochloride
  • 8-Methyl-7-nitro-[1,2,4]triazolo[1,5-a]pyridine
  • 1-(4,4-Dimethylcyclohexyl)-4-ethynylbenzene
  • (3-Dodecylthiophene-2,5-diyl)bis(trimethylstannane)
  • 1-(3-Chloroisoquinolin-8-yl)ethan-1-one
  • Tributyl(hexyl)phosphonium hexafluorophosphate(V)
  • | inverted exclamation mark-cyclodextrin, 6A,6B,6C,6D,6E,6F-hexaamino-6A,6B,6C,6D,6E,6F-hexadeoxy-, hexahydrochloride
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