Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC[C@@H](c1ccc(-c2ccc(=O)n(CC)c2)cc1)N1CC[C@](CC)(c2ccccc2)OC1=O- InChIKey
MISMTXFUWPPXFZ-LBNVMWSVSA-N- Molecular formula
- C28H32N2O3
- Average molar mass
- 444.6 g/mol
- Monoisotopic mass
- 444.24129289
Names & identifiers
- Preferred name
- (R)-6-ethyl-3-((S)-1-(4-(1-ethyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)propyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6R)-6-ethyl-3-[(1S)-1-[4-(1-ethyl-6-oxo-3-pyridinyl)phenyl]propyl]-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL117260CHEMBL3664664MISMTXFUWPPXFZ-LBNVMWSVSA-NBDBM107608US8575157, 57(R)-6-ethyl-3-((S)-1-(4-(1-ethyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)propyl)-6-phenyl -1,3-oxazinan-2-one(R)-6-ethyl-3-((S)-1-(4-(1-ethyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl)propyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635636
- ChEMBL
CHEMBL3664664
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 761
Related reactions
8 records
Compound notes
Loading…