(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]isoquinoline-9-carbonitrile
Chemical Structure Depiction of
(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]isoquinoline-9-carbonitrile
(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]isoquinoline-9-carbonitrile
Compound characteristics
| Compound ID: | H010-0063 |
| Compound Name: | (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]isoquinoline-9-carbonitrile |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C23 H22 N2 O7 |
| Smiles: | [H][C@]1(c2ccc(c(c2C(=O)O1)OC)OC)[C@@]1([H])c2c(CCN1C)c(C#N)c1c(c2OC)OCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3796 |
| logD: | 2.3795 |
| logSw: | -2.9477 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.509 |
| InChI Key: | GNVLNWAPJRQNMG-QZTJIDSGSA-N |