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Basic information
- Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CCO)(c2ccccc2)OC1=O- InChIKey
WTVAWDUKJBNTOP-YWZLYKJASA-N- Molecular formula
- C20H22BrNO3
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 403.07831
Names & identifiers
- Preferred name
- (S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL117436WTVAWDUKJBNTOP-YWZLYKJASA-N(s)-3-((s)-1-(4-bromo-phenyl)ethyl)-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635684
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 446
Related reactions
16 records
Compound notes
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