3-{(5RS)-5-[(1SR)-4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl}benzamide
Chemical Structure Depiction of
3-{(5RS)-5-[(1SR)-4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl}benzamide
3-{(5RS)-5-[(1SR)-4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl}benzamide
Compound characteristics
| Compound ID: | H010-0070 |
| Compound Name: | 3-{(5RS)-5-[(1SR)-4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl}benzamide |
| Molecular Weight: | 532.55 |
| Molecular Formula: | C29 H28 N2 O8 |
| Smiles: | [H][C@]1(c2ccc(c(c2C(=O)O1)OC)OC)[C@@]1([H])c2c(CCN1C)c(c1cccc(c1)C(N)=O)c1c(c2OC)OCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8388 |
| logD: | 2.8372 |
| logSw: | -3.3135 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.24 |
| InChI Key: | WUEQUSLJVPAOSN-DHIUTWEWSA-N |