Basic information
- Standard SMILES
CC(C)n1cc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)ccc1=O- InChIKey
RPXPOAJHLVZLCE-CHJDUVSTSA-N- Molecular formula
- C30H36N2O4
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- (S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-isopropyl-6-oxo-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-propan-2-yl-3-pyridinyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116872CHEMBL3664718RPXPOAJHLVZLCE-CHJDUVSTSA-NBDBM107665US8575157, 59(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-isopropyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635784
- ChEMBL
CHEMBL3664718
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 864
Related reactions
7 records
Compound notes
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