Basic information
- Standard SMILES
Cl.O=C(O)c1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)oc23)c1- InChIKey
BVYUKLDJKTVDRA-FYZYNONXSA-N- Molecular formula
- C23H23ClN2O4
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 426.1346349
Names & identifiers
- Preferred name
- 3-(2-{[(3R)-1-Azabicyclo[2.2.2]oct-3-ylamino]carbonyl}-1-benzofuran-7-yl)-benzoic acid hydrochloride
- IUPAC
- 3-[2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]-1-benzofuran-7-yl]benzoic acid;hydrochloride
Names & synonyms
SCHEMBL2198012BVYUKLDJKTVDRA-FYZYNONXSA-N3-(2-{[(3R)-1-Azabicyclo[2.2.2]oct-3-ylamino]carbonyl}-1-benzofuran-7-yl)-benzoic acid hydrochloride
Database identifiers
- PubChem CID
- 67313952
Properties
Computed structural properties
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
Related reactions
22 records
Compound notes
Loading…