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Basic information
- CAS
1114563-02-8- Standard SMILES
CCn1ccc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O- InChIKey
NHDUOZUJFFAZCM-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-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-ethyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL119977CHEMBL3664671NHDUOZUJFFAZCM-LGGPFLRQSA-NBDBM107615DTXSID901103307(S)-3-((S)-1-(4-(1-ethyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one1114563-02-8US8575157, 65(6S)-3-[(1S)-1-[4-(1-Ethyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- CAS
1114563-02-8- PubChem CID
- 59635683
- DTXSID
DTXSID901103307- ChEMBL
CHEMBL3664671
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
8 records
Compound notes
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