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Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@H]1C[C@@]2(c3ccccc3)C(=O)CC[C@@H]1N2Cc1ccccc1- InChIKey
FVOPSRDDKMWTIE-STWLZBDKSA-N- Molecular formula
- C25H29NO3
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.21474379
Names & identifiers
- Preferred name
- (1R*,5S*,6S*)-8-Benzyl-6-(tert-butoxycarbonyl)-1-phenyl-8-azabicyclo[3.2.1]octan-2-one
- IUPAC
- tert-butyl (1R,5S,6S)-8-benzyl-2-oxo-1-phenyl-8-azabicyclo[3.2.1]octane-6-carboxylate
Names & synonyms
SCHEMBL6771700FVOPSRDDKMWTIE-STWLZBDKSA-N(1R*,5S*,6S*)-8-Benzyl-6-(tert-butoxycarbonyl)-1-phenyl-8-azabicyclo[3.2.1]octan-2-one
Database identifiers
- PubChem CID
- 69891741
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Related reactions
1 records
Compound notes
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