N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C197-0067 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3-[4-(methylsulfanyl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 550.67 |
| Molecular Formula: | C30 H34 N2 O6 S |
| Smiles: | CN1C(C(C(NCCc2ccc(c(c2)OC)OC)=O)c2cc(c(cc2C1=O)OC)OC)c1ccc(cc1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2502 |
| logD: | 3.2502 |
| logSw: | -3.618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.465 |
| InChI Key: | HDDOVTNZCRNUMQ-UHFFFAOYSA-N |