Basic information
- Standard SMILES
C=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1- InChIKey
SXAUUPNZZAAJOG-YCRPNKLZSA-N- Molecular formula
- C21H21BrFNO2
- Average molar mass
- 418.3 g/mol
Names & identifiers
- Preferred name
- (R)-6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
- IUPAC
- (6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116009SXAUUPNZZAAJOG-YCRPNKLZSA-N(R)-6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl) -1,3-oxazinan-2-one(R)-6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxa zinan-2-one(R)-6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 53473487
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
40 records
Compound notes
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