Basic information
- Standard SMILES
COc1ccc(C(C#N)(CC(C)CN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC- InChIKey
ZLWICDJDQLCHMV-UHFFFAOYSA-N- Molecular formula
- C32H38N2O4S
- Average molar mass
- 546.7 g/mol
Names & identifiers
- Preferred name
- alpha-(3,4-Dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-gamma-methyl-alpha-[(4-methylphenyl)thio]-2(1H)-isoquino linepentanenitrile
- IUPAC
- 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)sulfanylpentanenitrile
Names & synonyms
SCHEMBL8795145ZLWICDJDQLCHMV-UHFFFAOYSA-Nalpha-(3,4-Dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-gamma-methyl-alpha-[(4-methylphenyl)thio]-2(1H)-isoquino linepentanenitrilealpha-(3.4-Dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-gamma-methyl-alpha-[(4-methylphenyl)thio]-2(1H)-isoquino linepentanenitrile
Database identifiers
- PubChem CID
- 20094567
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 798
Related reactions
3 records
Compound notes
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