(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
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Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)n(CC(F)(F)F)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O- InChIKey
QIMKZFAYADXKFW-MMTVBGGISA-N- Molecular formula
- C29H31F3N2O4
- Average molar mass
- 528.6 g/mol
Names & identifiers
- Preferred name
- (S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[6-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-oneSCHEMBL589114CHEMBL3664673BDBM107617US8575157, 67(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(6-oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridin -3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635755
- ChEMBL
CHEMBL3664673
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 933
Related reactions
8 records
Compound notes
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