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Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O- InChIKey
VPZOFKJQKKKCRL-HFJWLAOPSA-N- Molecular formula
- C26H27FN2O4
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.19548551
Names & identifiers
- Preferred name
- (R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-((S)-1-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
- IUPAC
- (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL116834VPZOFKJQKKKCRL-HFJWLAOPSA-N(R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-((S)-1-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635635
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 768
Related reactions
15 records
Compound notes
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