Basic information
- Standard SMILES
C[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O- InChIKey
HZTUNHDIQDNIQJ-WRONEBCDSA-N- Molecular formula
- C29H36BFN2O4
- Average molar mass
- 506.4 g/mol
Names & identifiers
- Preferred name
- 3-((R)-6-(4-fluorophenyl)-2-oxo-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
- IUPAC
- 3-[(6R)-6-(4-fluorophenyl)-2-oxo-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-6-yl]-2,2-dimethylpropanenitrile
Names & synonyms
SCHEMBL118645HZTUNHDIQDNIQJ-WRONEBCDSA-N3-((R)-6-(4-fluorophenyl)-2-oxo-3-((S) -1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile3-((R)-6-(4-fluorophenyl)-2-oxo-3-((S)-1-(4-(4,4,5,5-tetramethyl -1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile3-((R)-6-(4-fluorophenyl)-2-oxo-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
Database identifiers
- PubChem CID
- 59635666
Properties
Computed structural properties
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 870
Related reactions
15 records
Compound notes
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