Basic information
- Standard SMILES
COC(=O)CCC1(C(C)C)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1- InChIKey
VXRVBZMOJLZYEG-KTQQKIMGSA-N- Molecular formula
- C19H26BrNO4
- Average molar mass
- 412.3 g/mol
Names & identifiers
- Preferred name
- methyl 3-(3-((S)-1-(4-bromophenyl)ethyl)-6-isopropyl-2-oxo-1,3-oxazinan-6-yl)propanoate
- IUPAC
- methyl 3-[3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-propan-2-yl-1,3-oxazinan-6-yl]propanoate
Names & synonyms
SCHEMBL117896VXRVBZMOJLZYEG-KTQQKIMGSA-Nmethyl 3-(3-((S)-1-(4-bromophenyl)ethyl)-6-isopropyl-2-oxo-1,3-oxazinan-6-yl)propanoate
Database identifiers
- PubChem CID
- 59635672
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
7 records
Compound notes
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