3-benzyl-8-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-8-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
3-benzyl-8-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-3591 |
| Compound Name: | 3-benzyl-8-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 471.55 |
| Molecular Formula: | C29 H29 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2CN1CCc2cc(c(cc2C1)OC)OC)O |
| Stereo: | ACHIRAL |
| logP: | 5.0962 |
| logD: | 4.6013 |
| logSw: | -4.7159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.776 |
| InChI Key: | JEHQKHLZUCYKBX-UHFFFAOYSA-N |