Basic information
- Standard SMILES
CO[C@@H]1CN(c2ccc(C#C[C@@]3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)C[C@H]1O- InChIKey
NDEOTZXSBKCQLS-DGWZTRNLSA-N- Molecular formula
- C26H31N3O3
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- (3R)-3-[2-Benzyl-6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-yl]-3-pyridyl)ethynyl-3-quinuclidinol
- IUPAC
- (3R)-3-[2-[2-benzyl-6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-3-pyridinyl]ethynyl]-1-azabicyclo[2.2.2]octan-3-ol
Names & synonyms
SCHEMBL6377048NDEOTZXSBKCQLS-DGWZTRNLSA-N(3R)-3-[2-Benzyl-6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidine-1-yl]-3-pyridyl)ethynyl-3-quinuclidinol
Database identifiers
- PubChem CID
- 9845745
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 706
Related reactions
3 records
Compound notes
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