Basic information
- Standard SMILES
CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
BXQWRZYOOZPLBJ-UHFFFAOYSA-N- Molecular formula
- C28H38BNO5
- Average molar mass
- 479.4 g/mol
Names & identifiers
- Preferred name
- 6-(2-Hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
- IUPAC
- 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL1403849
Database identifiers
- PubChem CID
- 67019752
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 740
Related reactions
80 records
Compound notes
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