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Basic information
- Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O- InChIKey
GPGZAHQUVUJMAK-SBUREZEXSA-N- Molecular formula
- C23H25BrN2O2
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 440.10994
Names & identifiers
- Preferred name
- 3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
- IUPAC
- 3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]-2,2-dimethylpropanenitrile
Names & synonyms
SCHEMBL115466GPGZAHQUVUJMAK-SBUREZEXSA-N3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
Database identifiers
- PubChem CID
- 59635649
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 599
Related reactions
15 records
Compound notes
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