Basic information
- Standard SMILES
COc1ccc(CC2c3cc(OC(C)C)c(OC)cc3CCN2CC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1OC- InChIKey
AXVHTZWYRDFCBM-KEIYTCKESA-N- Molecular formula
- C33H40N2O6
- Average molar mass
- 560.7 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3,4-Dimethoxy-benzyl)-6-methoxy-7-isopropoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1S,2R)-2-hydroxy-indan-1-yl]-acetamide
- IUPAC
- 2-[1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-7-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
Names & synonyms
SCHEMBL6789633AXVHTZWYRDFCBM-KEIYTCKESA-N2-[1-(3,4-Dimethoxy-benzyl)-6-methoxy-7-isopropoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[(1S,2R)-2-hydroxy-indan-1-yl]-acetamide
Database identifiers
- PubChem CID
- 69896027
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 843
Related reactions
1 records
Compound notes
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