Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CC[C@](CC(C)(C)C#N)(c2ccc(F)cc2)OC1=O- InChIKey
KVTLQMVZQKYMIS-VKGTZQKMSA-N- Molecular formula
- C28H28FN3O3
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.21146993
Names & identifiers
- Preferred name
- 3-((R)-6-(4-fluorophenyl)-2-oxo-3-((S)-1-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
- IUPAC
- 3-[(6R)-6-(4-fluorophenyl)-2-oxo-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-6-yl]-2,2-dimethylpropanenitrile
Names & synonyms
SCHEMBL116847CHEMBL3664644KVTLQMVZQKYMIS-VKGTZQKMSA-NBDBM107586US8575157, 153-((R)-6-(4-fluorophenyl)-2-oxo-3-((S)-1-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-6-yl)-2,2-dimethylpropanenitrile
Database identifiers
- PubChem CID
- 59635757
- ChEMBL
CHEMBL3664644
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 919
Related reactions
6 records
Compound notes
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