N-(4-Bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
Basic information
- CAS
477313-57-8- Standard SMILES
COc1ccc(-n2c(SCC(=O)Nc3ccc(Br)cc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1- InChIKey
YZYNUERUMQZMEX-UHFFFAOYSA-N- Molecular formula
- C28H29BrN4O2S
- Average molar mass
- 565.5 g/mol
- Monoisotopic mass
- 564.11946
Names & identifiers
- Preferred name
- N-(4-Bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
- IUPAC
- N-(4-bromo-2-methylphenyl)-2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- SALOR-INT L227315-1EA
- Molecular formula
- C28H29BrN4O2S
- Molecular weight
- 565.52
Names & synonyms
477313-57-8N-(4-bromo-2-methylphenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideN-(4-BROMO-2-METHYLPHENYL)-2-((5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDERefChem:827211647-961-8N-(4-Bromo-2-methylphenyl)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamideSTL050848AKOS002177818ST500630142-{5-[4-(tert-butyl)phenyl]-4-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)}-N-(4- bromo-2-methylphenyl)acetamideSALOR-INT L227315-1EAN-(4-BROMO-2-METHYLPHENYL)-2-([5-(4-TERT-BUTYLPHENYL)-4-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
Show more names
Acetamide, N-(4-bromo-2-methylphenyl)-2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 706
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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