Basic information
- Standard SMILES
Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3cccc(-n4cccc4)c3)c2s1- InChIKey
ZDARMMFWJIIBKT-BQAIUKQQSA-N- Molecular formula
- C26H26ClN3OS
- Average molar mass
- 464 g/mol
Names & identifiers
- Preferred name
- N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-[3-(1H-pyrrol-1-yl)phenyl]-1-benzothiophene-2-carboxamide hydrochloride
- IUPAC
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-(3-pyrrol-1-ylphenyl)-1-benzothiophene-2-carboxamide;hydrochloride
Names & synonyms
SCHEMBL2197473ZDARMMFWJIIBKT-BQAIUKQQSA-NN-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-7-[3-(1H-pyrrol-1-yl)phenyl]-1-benzothiophene-2-carboxamide hydrochloride
Database identifiers
- PubChem CID
- 67313745
Properties
Computed structural properties
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 645
Related reactions
2 records
Compound notes
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