8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0571 |
| Compound Name: | 8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCc4ccccc4C3)n2CCOC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1315 |
| logD: | 2.1291 |
| logSw: | -2.3753 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.667 |
| InChI Key: | RFCPOFYEHHXOTG-UHFFFAOYSA-N |