Basic information
- Standard SMILES
COc1ccc(CC2c3c(cc(OC)c(OC)c3OC)CCN2CC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1OC- InChIKey
IFKMDTZYNYRYAK-LERNEWSCSA-N- Molecular formula
- C32H38N2O7
- Average molar mass
- 562.7 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3,4-Dimethoxy-benzyl)-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R,2S)-2-hydroxy-indan-1-yl]-acetamide
- IUPAC
- 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
Names & synonyms
SCHEMBL6789934IFKMDTZYNYRYAK-LERNEWSCSA-N2-[1-(3,4-Dimethoxy-benzyl)-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1R,2S)-2-hydroxy-indan-1-yl]-acetamide
Database identifiers
- PubChem CID
- 69896121
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 847
Related reactions
1 records
Compound notes
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