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Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2cccn(C)c2=O)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O- InChIKey
GKBNHXAHYPXLFZ-UZTOHYMASA-N- Molecular formula
- C27H29FN2O4
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- (R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-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)-6-(3-hydroxypropyl)-3-[(1S)-1-[4-(1-methyl-2-oxo-3-pyridinyl)phenyl]ethyl]-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL117594GKBNHXAHYPXLFZ-UZTOHYMASA-N(R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)phenyl)ethyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 59635669
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 798
Related reactions
6 records
Compound notes
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