Basic information
- Standard SMILES
C=CCC1(C(C)C)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1- InChIKey
TWLKSJGYIXBHOF-PIVQAISJSA-N- Molecular formula
- C18H24BrNO2
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.09904
Names & identifiers
- Preferred name
- 6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-isopropyl-1,3-oxazinan-2-one
- IUPAC
- 3-[(1S)-1-(4-bromophenyl)ethyl]-6-propan-2-yl-6-prop-2-enyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL118963TWLKSJGYIXBHOF-PIVQAISJSA-N6-allyl-3-((S)-1-(4-bromophenyl)ethyl)-6-isopropyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635749
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Related reactions
14 records
Compound notes
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