Methyl 4-[4-(1-azabicyclo[2.2.2]octane-3-carbonylamino)phenyl]benzoate
Basic information
- Standard SMILES
COC(=O)c1ccc(-c2ccc(NC(=O)C3CN4CCC3CC4)cc2)cc1- InChIKey
OUYACRQQGVHXLE-UHFFFAOYSA-N- Molecular formula
- C22H24N2O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17869263
Names & identifiers
- Preferred name
- Methyl 4-[4-(1-azabicyclo[2.2.2]octane-3-carbonylamino)phenyl]benzoate
- IUPAC
- methyl 4-[4-(1-azabicyclo[2.2.2]octane-3-carbonylamino)phenyl]benzoate
Database identifiers
- PubChem CID
- 21883434
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Related reactions
1 records
Compound notes
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