Basic information
- Standard SMILES
Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1ccc(C)[n+]([O-])c1- InChIKey
KISYPVQGKCEOEE-UHFFFAOYSA-N- Molecular formula
- C20H20F3N3O3
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.14567599
Names & identifiers
- Preferred name
- 6-methyl-3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine-N-oxide
- IUPAC
- 3-[3,5-dimethyl-4-[3-(6-methyl-1-oxidopyridin-1-ium-3-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
Names & synonyms
6-methyl-3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridine-N-oxideSCHEMBL8924815
Database identifiers
- PubChem CID
- 19082050
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 513
Related reactions
4 records
Compound notes
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