Basic information
- Standard SMILES
CC(c1ccc(Br)cc1)N1CCC(CCCO)(c2ccc(F)cc2)OC1=O- InChIKey
NOZAUIHWUFKYEA-UHFFFAOYSA-N- Molecular formula
- C21H23BrFNO3
- Average molar mass
- 436.3 g/mol
Names & identifiers
- Preferred name
- 3-[1-(4-Bromophenyl)ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
- IUPAC
- 3-[1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 90710797
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
21 records
Linked notes
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