Basic information
- Standard SMILES
CCn1c(C)cc(-c2ccc([C@H](C)N3CC[C@](CC(C)(C)O)(c4ccccc4)OC3=O)cc2)cc1=O- InChIKey
BNQCJDYJTKIIEZ-CHJDUVSTSA-N- Molecular formula
- C30H36N2O4
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- (S)-3-((S)-1-(4-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
- IUPAC
- (6S)-3-[(1S)-1-[4-(1-ethyl-2-methyl-6-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL589701CHEMBL3664677BNQCJDYJTKIIEZ-CHJDUVSTSA-NBDBM107621US8575157, 72(S)-3-((S)-1-(4-(1-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635652
- ChEMBL
CHEMBL3664677
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 879
Related reactions
8 records
Compound notes
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