3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)-2-methylpropanenitrile
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Basic information
- Standard SMILES
CC(C#N)C[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1- InChIKey
QDUSEPVHLFITRY-KVUOWAFTSA-N- Molecular formula
- C22H22BrFN2O2
- Average molar mass
- 445.3 g/mol
Names & identifiers
- Preferred name
- 3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)-2-methylpropanenitrile
- IUPAC
- 3-[(6R)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]-2-methylpropanenitrile
Names & synonyms
SCHEMBL589025QDUSEPVHLFITRY-KVUOWAFTSA-N3-((R)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)-2-methylpropanenitrile
Database identifiers
- PubChem CID
- 59635776
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
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Related reactions
10 records
Compound notes
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