Basic information
- Standard SMILES
CC(=O)OC(C)(C)C(=O)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1- InChIKey
OVROCRYFAVBXRP-LJQANCHMSA-N- Molecular formula
- C22H22F3NO3
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.15517805
Names & identifiers
- Preferred name
- (R)-2-Methyl-1-oxo-1-(1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)propan-2-yl acetate
- IUPAC
- [2-methyl-1-oxo-1-[(1R)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-yl] acetate
Names & synonyms
(R)-2-Methyl-1-oxo-1-(1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinolin-2(1H)-yl)propan-2-yl acetateSCHEMBL3066914
Database identifiers
- PubChem CID
- 59536313
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 611
Related reactions
1 records
Compound notes
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