methyl {8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0453 |
| Compound Name: | methyl {8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C20 H23 N5 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCc4ccccc4C3)n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7941 |
| logD: | 1.7927 |
| logSw: | -2.084 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.925 |
| InChI Key: | POERGFONJBBQSG-UHFFFAOYSA-N |