Basic information
- Standard SMILES
COc1cccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NCc2cccnc2)c1- InChIKey
YOFNGHNWEITSRA-UHFFFAOYSA-N- Molecular formula
- C27H31N3O4
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- 2-[1-(3-Methoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-3-yl-methyl)-acetamide
- IUPAC
- 2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
Names & synonyms
SCHEMBL6376876YOFNGHNWEITSRA-UHFFFAOYSA-N2-[1-(3-Methoxy-benzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(pyridin-3-yl-methyl)-acetamide
Database identifiers
- PubChem CID
- 22742840
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
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