Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O- InChIKey
DDWYZIPKUZUFSJ-MMTVBGGISA-N- Molecular formula
- C28H29N3O3
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- 2,2-dimethyl-3-((R)-2-oxo-3-((S)-1-(4-(2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-6-yl)propanenitrile
- IUPAC
- 2,2-dimethyl-3-[(6R)-2-oxo-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-6-yl]propanenitrile
Names & synonyms
SCHEMBL590637CHEMBL3664643DDWYZIPKUZUFSJ-MMTVBGGISA-NBDBM107585US8575157, 142,2-dimethyl-3-((R)-2-oxo-3-((S)-1-(4-(2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-6-yl)propanenitrile
Database identifiers
- PubChem CID
- 59635703
- ChEMBL
CHEMBL3664643
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 884
Related reactions
8 records
Compound notes
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