Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)N1CC[C@](CCCNS(C)(=O)=O)(c2ccccc2)OC1=O- InChIKey
YLYGOGOINFCFEB-RBTNQOKQSA-N- Molecular formula
- C28H33N3O5S
- Average molar mass
- 523.6 g/mol
Names & identifiers
- Preferred name
- n-(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)propyl)methanesulfonamide
- IUPAC
- N-[3-[(6R)-3-[(1S)-1-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]ethyl]-2-oxo-6-phenyl-1,3-oxazinan-6-yl]propyl]methanesulfonamide
Names & synonyms
SCHEMBL116762CHEMBL3664650YLYGOGOINFCFEB-RBTNQOKQSA-NBDBM107593US8575157, 39n-(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)propyl)methanesulfonamide
Database identifiers
- PubChem CID
- 59635644
- ChEMBL
CHEMBL3664650
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 990
Related reactions
6 records
Compound notes
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