Basic information
- Standard SMILES
CCOc1cc2c(cc1OC)CCN(CC(=O)NC1CCc3ccccc31)C2Cc1ccc(OC)c(OC)c1- InChIKey
IXZPQPKVTJHJCU-UHFFFAOYSA-N- Molecular formula
- C32H38N2O5
- Average molar mass
- 530.7 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3,4-dimethoxy-benzyl)-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(indan-1-yl)-acetamide
- IUPAC
- N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
Names & synonyms
SCHEMBL4430265IXZPQPKVTJHJCU-UHFFFAOYSA-N2-[1-(3,4-dimethoxy-benzyl)-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(indan-1-yl)-acetamide
Database identifiers
- PubChem CID
- 22742841
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 782
Related reactions
2 records
Compound notes
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