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Basic information
- Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O- InChIKey
HHZCHFPXOMLTJW-HJPURHCSSA-N- Molecular formula
- C23H24BrFN2O2
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 458.10052
Names & identifiers
- Preferred name
- 3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
- IUPAC
- 3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-2,2-dimethylpropanenitrile
Names & synonyms
CHEMBL4072907SCHEMBL116718HHZCHFPXOMLTJW-HJPURHCSSA-NBDBM502535063-((R)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-2-oxo -1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
Database identifiers
- PubChem CID
- 59635655
- ChEMBL
CHEMBL4072907
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Related reactions
18 records
Compound notes
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