N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
Basic information
- CAS
578699-95-3- Standard SMILES
CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1-c1cnccn1- InChIKey
GCKOEKYSMPTNIW-UHFFFAOYSA-N- Molecular formula
- C16H13BrF2N6OS
- Average molar mass
- 455.3 g/mol
- Monoisotopic mass
- 454.0023
Names & identifiers
- Preferred name
- N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide
- IUPAC
- N-(2-bromo-4,6-difluorophenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Names & synonyms
578699-95-3N-(2-BROMO-4,6-DIFLUOROPHENYL)-2-{[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDEN-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamideRefChem:825058643-869-7N-(2-Bromo-4,6-difluorophenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamideSTL341668AKOS002188424N-(2-bromo-4,6-difluorophenyl)-2-{[4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideST50081203N-(2-bromo-4,6-difluorophenyl)-2-(4-ethyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthi o))acetamide
Database identifiers
- CAS
578699-95-3- PubChem CID
- 1990184
- EC Number
- 643-869-7
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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