Basic information
- Standard SMILES
O=C(O[C@@H]1CC[C@H]2[C@H](S(=O)(=O)c3ccccc3)C[C@]1(c1ccccc1)N2Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
KKZXLLAAHJIPFL-AMTAJSKDSA-N- Molecular formula
- C35H29F6NO4S
- Average molar mass
- 673.7 g/mol
Names & identifiers
- Preferred name
- (1R*,2R*,5S*,6R*)-8-Benzyl-2-[3,5-bis(trifluoromethyl)benzoyloxy]-1-phenyl-6-phenylsulphonyl-8-azabicyclo[3.2.1]octane
- IUPAC
- [(1R,2R,5S,6R)-6-(benzenesulfonyl)-8-benzyl-1-phenyl-8-azabicyclo[3.2.1]octan-2-yl] 3,5-bis(trifluoromethyl)benzoate
Names & synonyms
SCHEMBL6766753KKZXLLAAHJIPFL-AMTAJSKDSA-N(1R*,2R*,5S*,6R*)-8-Benzyl-2-[3,5-bis(trifluoromethyl)benzoyloxy]-1-phenyl-6-phenylsulphonyl-8-azabicyclo[3.2.1]octane
Database identifiers
- PubChem CID
- 86586643
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
1 records
Compound notes
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