Basic information
- Standard SMILES
O=c1cc(OCc2ccccc2)ccn1CCc1ccc(CBr)cc1- InChIKey
NHFHCGZRNPJQRB-UHFFFAOYSA-N- Molecular formula
- C21H20BrNO2
- Average molar mass
- 398.3 g/mol
Names & identifiers
- Preferred name
- 4-Benzyloxy-1-[2-(4-bromomethyl-phenyl)-ethyl]-1H-pyridin-2-one
- IUPAC
- 1-[2-[4-(bromomethyl)phenyl]ethyl]-4-phenylmethoxypyridin-2-one
Names & synonyms
SCHEMBL1364736NHFHCGZRNPJQRB-UHFFFAOYSA-N4-Benzyloxy-1-[2-(4-bromomethyl-phenyl)-ethyl]-1H-pyridin-2-one
Database identifiers
- PubChem CID
- 67006571
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
4 records
Compound notes
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