1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-({3-[4-(methylsulfanyl)benzoyl]-1-benzofuran-5-yl}oxy)ethan-1-one
Chemical Structure Depiction of
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-({3-[4-(methylsulfanyl)benzoyl]-1-benzofuran-5-yl}oxy)ethan-1-one
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-({3-[4-(methylsulfanyl)benzoyl]-1-benzofuran-5-yl}oxy)ethan-1-one
Compound characteristics
| Compound ID: | Y041-6456 |
| Compound Name: | 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-({3-[4-(methylsulfanyl)benzoyl]-1-benzofuran-5-yl}oxy)ethan-1-one |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C29 H27 N O6 S |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(COc1ccc2c(c1)c(co2)C(c1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6211 |
| logD: | 4.6211 |
| logSw: | -4.3922 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.808 |
| InChI Key: | ZGLGAMHHKCAGPM-UHFFFAOYSA-N |