Basic information
- Standard SMILES
CCOc1ccccc1CNC(=O)CN1CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(OC)c(OC)c1- InChIKey
ZTPCELJYXWFODJ-VWLOTQADSA-N- Molecular formula
- C31H38N2O6
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.27298694
Names & identifiers
- Preferred name
- 2-[(1S)-1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-ethoxy-benzyl)-acetamide
- IUPAC
- 2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
Names & synonyms
SCHEMBL6375536ZTPCELJYXWFODJ-VWLOTQADSA-N2-[(1S)-1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-ethoxy-benzyl)-acetamide
Database identifiers
- PubChem CID
- 69758154
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 740
Related reactions
1 records
Compound notes
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