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Basic information
- Standard SMILES
Cc1cc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc(=O)n1C- InChIKey
MPRLCRDFWDNLEU-LGGPFLRQSA-N- Molecular formula
- C29H34N2O4
- Average molar mass
- 474.6 g/mol
Names & identifiers
- Preferred name
- (S)-3-((S)-1-(4-(1,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-[4-(1,2-dimethyl-6-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116757CHEMBL3664670MPRLCRDFWDNLEU-LGGPFLRQSA-NBDBM107614US8575157, 64(S)-3-((S)-1-(4-(1,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy -2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one(S)-3-((S)-1-(4-(1,6-dimethyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635758
- ChEMBL
CHEMBL3664670
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 864
Related reactions
8 records
Compound notes
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