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Basic information
- Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCCOS(C)(=O)=O)(c2ccccc2)OC1=O- InChIKey
SJCTZSVSIGMMFV-HTAPYJJXSA-N- Molecular formula
- C22H26BrNO5S
- Average molar mass
- 496.4 g/mol
Names & identifiers
- Preferred name
- 3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)propyl methanesulfonate
- IUPAC
- 3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propyl methanesulfonate
Names & synonyms
SCHEMBL117810SJCTZSVSIGMMFV-HTAPYJJXSA-N3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)propyl methanesulfonate
Database identifiers
- PubChem CID
- 59635709
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 668
Related reactions
19 records
Compound notes
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