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Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccccc2)OC1=O- InChIKey
YBDFPAYNZHIEFN-LGGPFLRQSA-N- Molecular formula
- C29H31N3O3
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- 2,2-dimethyl-3-((R)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)propanenitrile
- IUPAC
- 2,2-dimethyl-3-[(6R)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propanenitrile
Names & synonyms
SCHEMBL115497CHEMBL3664657YBDFPAYNZHIEFN-LGGPFLRQSA-NBDBM107600US8575157, 492,2-dimethyl-3-((R)-3-((S)-1-(4-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-2-oxo-6-phenyl-1,3-oxazinan-6-yl)propanenitrile
Database identifiers
- PubChem CID
- 59635640
- ChEMBL
CHEMBL3664657
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 915
Related reactions
13 records
Compound notes
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