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Basic information
- Standard SMILES
C[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2F)OC1=O- InChIKey
SUXFPPQUPYUMQS-VKGTZQKMSA-N- Molecular formula
- C28H37BFNO5
- Average molar mass
- 497.4 g/mol
- Monoisotopic mass
- 497.2748816
Names & identifiers
- Preferred name
- (S)-6-(2-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one
- IUPAC
- (6S)-6-(2-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL120593SUXFPPQUPYUMQS-VKGTZQKMSA-N(S)-6-(2-fluorophenyl)-6-(2-hydroxy-2-methyl propyl)-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one(S)-6-(2-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl) -1,3-oxazinan-2-one(S)-6-(2-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635798
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 783
Related reactions
20 records
Compound notes
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