Basic information
- Standard SMILES
O=C([C@@H]1C[C@H]1c1ccccc1)N1CCc2c(F)ccc(Br)c2C1- InChIKey
LKXVCPFHGFDGEL-LSDHHAIUSA-N- Molecular formula
- C19H17BrFNO
- Average molar mass
- 374.2 g/mol
- Monoisotopic mass
- 373.04775
Names & identifiers
- Preferred name
- (8-Bromo-5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-((1R,2R)-2-phenyl-cyclopropyl)-methanone
- IUPAC
- (8-bromo-5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(1R,2R)-2-phenylcyclopropyl]methanone
Names & synonyms
SCHEMBL15056303LKXVCPFHGFDGEL-LSDHHAIUSA-N(8-Bromo-5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-((1R,2R)-2-phenyl-cyclopropyl)-methanone
Database identifiers
- PubChem CID
- 89648804
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 453
Related reactions
3 records
Compound notes
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