Basic information
- Standard SMILES
CO[C@H]1CN(c2ccc(C#C[C@@]3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)C[C@H]1OCF- InChIKey
HYXTWWQACDPJSE-ZWEKWIFMSA-N- Molecular formula
- C27H32FN3O3
- Average molar mass
- 465.6 g/mol
Names & identifiers
- Preferred name
- (3R)-3-[2-Benzyl-6-[(3R,4S)-3-(fluoromethoxy)-4-methoxypyrrolidine-1-yl]-3-pyridyl]ethynyl-3-quinuclidinol
- IUPAC
- (3R)-3-[2-[2-benzyl-6-[(3R,4S)-3-(fluoromethoxy)-4-methoxypyrrolidin-1-yl]-3-pyridinyl]ethynyl]-1-azabicyclo[2.2.2]octan-3-ol
Names & synonyms
SCHEMBL6379067HYXTWWQACDPJSE-ZWEKWIFMSA-N(3R)-3-[2-Benzyl-6-[(3R,4S)-3-(fluoromethoxy)-4-methoxypyrrolidine-1-yl]-3-pyridyl]ethynyl-3-quinuclidinol
Database identifiers
- PubChem CID
- 69759259
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 742
Related reactions
1 records
Compound notes
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