Basic information
- Standard SMILES
CC(CC(O)C(Cc1ccccc1)NC(=O)c1ccc(F)c(Br)c1)C(=O)NCCC(C)(C)C- InChIKey
CZHWOKXNAAPFAK-UHFFFAOYSA-N- Molecular formula
- C26H34BrFN2O3
- Average molar mass
- 521.5 g/mol
- Monoisotopic mass
- 520.17368
Names & identifiers
- Preferred name
- 3-bromo-N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-4-fluorobenzamide
- IUPAC
- 3-bromo-N-[6-(3,3-dimethylbutylamino)-3-hydroxy-5-methyl-6-oxo-1-phenylhexan-2-yl]-4-fluorobenzamide
Database identifiers
- PubChem CID
- 22253000
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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