Basic information
- Standard SMILES
C[C@@H](c1ccc(Br)cc1)N1CC[C@](CC(C)(C)O)(c2ccc(F)cc2)OC1=O- InChIKey
PCUYRJPAAXXRSG-NYHFZMIOSA-N- Molecular formula
- C22H25BrFNO3
- Average molar mass
- 450.3 g/mol
Names & identifiers
- Preferred name
- (S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-(4-bromophenyl)ethyl]-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116687CHEMBL3645526PCUYRJPAAXXRSG-NYHFZMIOSA-NUS8592410, Comparator 13BDBM107487US8598163, 71US8575157, 201(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl) -6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one(S)-3-((S)-1-(4-bromophenyl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635628
- ChEMBL
CHEMBL3645526
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 544
Related reactions
17 records
Compound notes
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