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-[(2-methylphenyl)carbamoyl]acetamide

Modify Date: 2024-01-08 22:52:51

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-[(2-methylphenyl)carbamoyl]acetamide structure	Common 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-[(2-methylphenyl)carbamoyl]acetamide
	CAS Number	97399-35-4	Molecular Weight	631.33900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₁Br₂N₅O₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

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-[(2-methylphenyl)carbamoyl]acetamide
Synonym	More Synonyms

Molecular Formula	C₂₅H₂₁Br₂N₅O₃S
Molecular Weight	631.33900
Exact Mass	628.97300
PSA	141.16000
LogP	5.68360

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AB6322000

CHEMICAL NAME :: Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl )-4H-1,2,4-triazol-3- yl) thio)-N-(((2-methylphenyl)amino)carbonyl)-

CAS REGISTRY NUMBER :: 97399-35-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H21-Br2-N5-O3-S

MOLECULAR WEIGHT :: 631.39

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

N/A structure

N/A

CAS#:97399-41-2

1-(2-chloroacetyl)-3-o-tolylurea structure

1-(2-chloroacet...

CAS#:13558-76-4

~53%

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-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

methyl 3,5-dibromo-2-hydroxybenzoate structure

methyl 3,5-dibr...

CAS#:21702-79-4

~%

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-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

3,5-dibromosalicylhydrazide structure

3,5-dibromosali...

CAS#:46155-70-8

~%

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-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

N/A structure

N/A

CAS#:94493-97-7

~%

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-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

Methyl salicylate structure

Methyl salicylate

CAS#:119-36-8

~%

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-[(2-methylphenyl)carbamoyl]acetamide Structure

2-[[(5Z)-5-(3,5...

CAS#:97399-35-4

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

Precursor 4
CAS#:13558-76-4 1-(2-chloroacet... CAS#:21702-79-4 methyl 3,5-dibr... CAS#:46155-70-8 3,5-dibromosali... CAS#:119-36-8 Methyl salicylate
DownStream 0

LS-8811

Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(((2-methylphenyl)amino)carbonyl)