Basic information
- Standard SMILES
COc1ccc(CC2c3c(OCCF)ccc(OC)c3CCN2CC(=O)NCc2ccccn2)cc1OC- InChIKey
BQDWGGIKQHNCJP-UHFFFAOYSA-N- Molecular formula
- C29H34FN3O5
- Average molar mass
- 523.6 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3,4-dimethoxy-benzyl)-8-(2-fluoro-ethoxy)-5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-2-yl-methyl)-acetamide
- IUPAC
- 2-[1-[(3,4-dimethoxyphenyl)methyl]-8-(2-fluoroethoxy)-5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
Names & synonyms
SCHEMBL4434633BQDWGGIKQHNCJP-UHFFFAOYSA-N2-[1-(3,4-dimethoxy-benzyl)-8-(2-fluoro-ethoxy)-5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-2-yl-methyl)-acetamide
Database identifiers
- PubChem CID
- 10301745
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 718
Related reactions
2 records
Compound notes
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