Basic information
- Standard SMILES
COc1ccc(CC2c3c(OC)ccc(OC)c3CCN2CC(=O)NCc2ccccn2)cc1OC- InChIKey
GCQCVZZGKIKVTL-UHFFFAOYSA-N- Molecular formula
- C28H33N3O5
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3,4-Dimethoxy-benzyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-2-yl-methyl)-acetamide
- IUPAC
- 2-[1-[(3,4-dimethoxyphenyl)methyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
Names & synonyms
SCHEMBL4435335GCQCVZZGKIKVTL-UHFFFAOYSA-N2-[1-(3,4-Dimethoxy-benzyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-2-yl-methyl)-acetamide
Database identifiers
- PubChem CID
- 9891797
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
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