Basic information
- Standard SMILES
O[C@H](COc1ccc(-c2noc3cc(F)ccc23)cc1)CN1CCc2ccccc2C1- InChIKey
NLTBUKVHVIFWSR-NRFANRHFSA-N- Molecular formula
- C25H23FN2O3
- Average molar mass
- 418.5 g/mol
Names & identifiers
- Preferred name
- (S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-propan-2-ol
- IUPAC
- (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)phenoxy]propan-2-ol
Names & synonyms
SCHEMBL5369848NLTBUKVHVIFWSR-NRFANRHFSA-N(S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(6-fluoro-benzo[d]isoxazol-3-yl)-phenoxy]-propan-2-ol
Database identifiers
- PubChem CID
- 9823314
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
Loading…