ethyl {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
ethyl {8-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {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: | C470-0476 |
| Compound Name: | ethyl {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: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | CCOC(Cn1c2C(N(C)C(N(C)c2nc1CN1CCc2ccccc2C1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3288 |
| logD: | 2.3274 |
| logSw: | -2.4288 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.505 |
| InChI Key: | WMHJTSSOXCWCNG-UHFFFAOYSA-N |