3-{4-[(5-bromopyrimidin-2-yl)oxy]phenoxy}quinuclidine Trifluroacetate
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Basic information
- Standard SMILES
Brc1cnc(Oc2ccc(OC3CN4CCC3CC4)cc2)nc1.O=C(O)C(F)(F)F- InChIKey
LUENNDBIOAXFIK-UHFFFAOYSA-N- Molecular formula
- C19H19BrF3N3O4
- Average molar mass
- 490.3 g/mol
Names & identifiers
- Preferred name
- 3-{4-[(5-bromopyrimidin-2-yl)oxy]phenoxy}quinuclidine Trifluroacetate
- IUPAC
- 3-[4-(5-bromopyrimidin-2-yl)oxyphenoxy]-1-azabicyclo[2.2.2]octane;2,2,2-trifluoroacetic acid
Names & synonyms
3-{4-[(5-bromopyrimidin-2-yl)oxy]phenoxy}quinuclidine TrifluroacetateSCHEMBL5651891
Database identifiers
- PubChem CID
- 69520201
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 459
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Related reactions
1 records
Compound notes
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