Basic information
- Standard SMILES
C=CC[C@]1(c2ccc(F)cc2)CCN([C@@H](C)c2ccc(-c3cccn(C)c3=O)cc2)C(=O)O1- InChIKey
JIAHRRMBTMIGRL-UZTOHYMASA-N- Molecular formula
- C27H27FN2O3
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.20057089
Names & identifiers
- Preferred name
- (R)-6-allyl-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
- IUPAC
- (6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]ethyl]-6-prop-2-enyl-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL118680JIAHRRMBTMIGRL-UZTOHYMASA-N(R)-6-allyl-6-(4-fluorophenyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635680
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 808
Related reactions
12 records
Compound notes
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