3-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Chemical Structure Depiction of
3-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-6,7-dimethoxy-2-benzofuran-1(3H)-one
3-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-6,7-dimethoxy-2-benzofuran-1(3H)-one
Compound characteristics
| Compound ID: | 6149-0127 |
| Compound Name: | 3-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-6,7-dimethoxy-2-benzofuran-1(3H)-one |
| Molecular Weight: | 531.56 |
| Molecular Formula: | C30 H29 N O8 |
| Smiles: | COc1cc(Cc2c3cc(c(cc3ccn2)OC)OC)c(cc1OC)C1c2ccc(c(c2C(=O)O1)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8547 |
| logD: | 3.7114 |
| logSw: | -4.1701 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.412 |
| InChI Key: | XVBAHBRKDFHVCC-MUUNZHRXSA-N |