2-(benzylsulfanyl)-1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
2-(benzylsulfanyl)-1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | K407-0368 |
| Compound Name: | 2-(benzylsulfanyl)-1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C28 H31 N O5 S |
| Smiles: | COc1ccccc1OCC1c2cc(c(cc2CCN1C(CSCc1ccccc1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6068 |
| logD: | 4.6068 |
| logSw: | -4.4145 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.763 |
| InChI Key: | WRCRZRHBYSNZPS-QHCPKHFHSA-N |