Basic information
- Standard SMILES
O=C1CC[C@H]2[C@H](S(=O)(=O)c3ccccc3)C[C@]1(c1ccccc1)N2Cc1ccccc1- InChIKey
RNCBRYRVBAKCBZ-BFLUCZKCSA-N- Molecular formula
- C26H25NO3S
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- (1R*,5S*,6R*)-8-Benzyl-1-phenyl-6-phenylsulphonyl-8-azabicyclo[3.2.1]octan-2-one
- IUPAC
- (1R,5S,6R)-6-(benzenesulfonyl)-8-benzyl-1-phenyl-8-azabicyclo[3.2.1]octan-2-one
Names & synonyms
SCHEMBL6762367RNCBRYRVBAKCBZ-BFLUCZKCSA-N(1R*,5S*,6R*) -8-Benzyl-1-phenyl-6-phenylsulphonyl-8-azabicyclo[3.2.1]octan-2-one(1R*,5S*,6R*)-8-Benzyl-1-phenyl-6-phenylsulphonyl-8-azabicyclo[3.2.1 ]octan-2-one(1R*,5S*,6R*)-8-Benzyl-1-phenyl-6-phenylsulphonyl-8-azabicyclo[3.2.1]octan-2-one
Database identifiers
- PubChem CID
- 69889408
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 741
Related reactions
6 records
Compound notes
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