5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-hydroxy-3-[(3-phenylpyrrolidin-1-yl)methyl]-4H-pyran-4-one
Chemical Structure Depiction of
5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-hydroxy-3-[(3-phenylpyrrolidin-1-yl)methyl]-4H-pyran-4-one
5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-hydroxy-3-[(3-phenylpyrrolidin-1-yl)methyl]-4H-pyran-4-one
Compound characteristics
| Compound ID: | IB06-4015 |
| Compound Name: | 5-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-hydroxy-3-[(3-phenylpyrrolidin-1-yl)methyl]-4H-pyran-4-one |
| Molecular Weight: | 476.57 |
| Molecular Formula: | C28 H32 N2 O5 |
| Smiles: | COc1cc2CCN(CC3=COC(=C(CN4CCC(C4)c4ccccc4)C3=O)O)Cc2cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.14 |
| logD: | 0.43 |
| logSw: | -3.95 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.95 |
| InChI Key: | BDOYTXBPSGUHRT-OAQYLSRUSA-N |