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Basic information
- Standard SMILES
CCn1cc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)ccc1=O- InChIKey
ZABDLBFFXBIVLQ-LGGPFLRQSA-N- Molecular formula
- C29H34N2O4
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.25185757
Names & identifiers
- Preferred name
- (S)-3-((S)-1-(4-(1-ethyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-[4-(1-ethyl-6-oxo-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116853CHEMBL3664660ZABDLBFFXBIVLQ-LGGPFLRQSA-NBDBM107604US8575157, 53(S)-3-((S)-1-(4-(1-ethyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635800
- ChEMBL
CHEMBL3664660
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
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 836
Related reactions
7 records
Compound notes
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