N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
Basic information
- CAS
760183-55-9- Standard SMILES
CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cnccn1- InChIKey
GHTMRSRAPYBVCK-UHFFFAOYSA-N- Molecular formula
- C17H14ClF3N6OS
- Average molar mass
- 442.8 g/mol
- Monoisotopic mass
- 442.0590424
Names & identifiers
- Preferred name
- N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
- IUPAC
- N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Names & synonyms
DTXSID401111721760183-55-9N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-[[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio]acetamideN-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{[4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Database identifiers
- CAS
760183-55-9- PubChem CID
- 3799129
- DTXSID
DTXSID401111721
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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