Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)[C@@H]1C[C@@]2(c3ccc(F)cc3)[C@H](O)CC[C@@H]1N2Cc1ccccc1- InChIKey
UCXBBRDEIYGCDL-BKKFENPESA-N- Molecular formula
- C26H26FNO3S
- Average molar mass
- 451.6 g/mol
Names & identifiers
- Preferred name
- (1R*,2R*,5S*,6R*)-8-Benzyl-1-(4-fluorophenyl)-6-phenylsulphonyl-8-azabicyclo[3.2.1]octan-2-ol
- IUPAC
- (1R,2R,5S,6R)-6-(benzenesulfonyl)-8-benzyl-1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-2-ol
Names & synonyms
SCHEMBL6771817UCXBBRDEIYGCDL-BKKFENPESA-N(1R*,2R*,5S*,6R*)-8-Benzyl-1-(4-fluorophenyl)-6-phenylsulphonyl-8-azabicyclo[3.2.1]octan-2-ol
Database identifiers
- PubChem CID
- 69891767
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 735
Related reactions
2 records
Compound notes
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