(3RS)-3-{(5SR)-9-[4-(methanesulfonyl)phenyl]-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--hydrogen chloride (1/1)
Chemical Structure Depiction of
(3RS)-3-{(5SR)-9-[4-(methanesulfonyl)phenyl]-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--hydrogen chloride (1/1)
(3RS)-3-{(5SR)-9-[4-(methanesulfonyl)phenyl]-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--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H010-0075C |
| Compound Name: | (3RS)-3-{(5SR)-9-[4-(methanesulfonyl)phenyl]-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--hydrogen chloride (1/1) |
| Molecular Weight: | 604.08 |
| Molecular Formula: | C29 H29 N O9 S |
| Salt: | HCl |
| Smiles: | [H][C@]1(c2ccc(c(c2C(=O)O1)OC)OC)[C@@]1([H])c2c(CCN1C)c(c1ccc(cc1)S(C)(=O)=O)c1c(c2OC)OCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1789 |
| logD: | 3.1773 |
| logSw: | -3.583 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 93.93 |
| InChI Key: | FJVLYMFONYZVHC-RPWUZVMVSA-N |