1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[4-(methylsulfanyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[4-(methylsulfanyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[4-(methylsulfanyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8016-9047 |
| Compound Name: | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-[4-(methylsulfanyl)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 529.67 |
| Molecular Formula: | C27 H31 N O6 S2 |
| Smiles: | COc1ccc(CC2c3cc(c(cc3CCN2S(c2ccc(cc2)SC)(=O)=O)OC)OC)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7299 |
| logD: | 4.7299 |
| logSw: | -4.5745 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.175 |
| InChI Key: | VULHZZRNJOQEBI-QHCPKHFHSA-N |