(3RS)-3-[(5SR)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
(3RS)-3-[(5SR)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
(3RS)-3-[(5SR)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | H010-0003 |
| Compound Name: | (3RS)-3-[(5SR)-9-bromo-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 492.32 |
| Molecular Formula: | C22 H22 Br N O7 |
| Smiles: | [H][C@]1(c2ccc(c(c2C(=O)O1)OC)OC)[C@@]1([H])c2c(CCN1C)c(c1c(c2OC)OCO1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.266 |
| logD: | 3.2321 |
| logSw: | -3.4639 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.452 |
| InChI Key: | PLMUFLAOTAHIIZ-SJORKVTESA-N |