Basic information
- Standard SMILES
C[C@@H](c1ccc(-c2cnccn2)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O- InChIKey
UKQDIECVLGDRNQ-AVRWGWEMSA-N- Molecular formula
- C25H26FN3O3
- Average molar mass
- 435.5 g/mol
Names & identifiers
- Preferred name
- (R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-((S)-1-(4-(pyrazin-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one
- IUPAC
- (6R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-[(1S)-1-(4-pyrazin-2-ylphenyl)ethyl]-1,3-oxazinan-2-one
Names & synonyms
SCHEMBL959499UKQDIECVLGDRNQ-AVRWGWEMSA-N(R)-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-3-((S)-1-(4-(pyrazin-2-yl)phenyl)ethyl)-1,3-oxazinan-2-one
Database identifiers
- PubChem CID
- 58109727
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 607
Related reactions
1 records
Compound notes
Loading…