ethyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0462 |
| Compound Name: | ethyl {8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C19 H29 N5 O4 |
| Smiles: | CCOC(Cn1c2C(N(C)C(N(C)c2nc1CN1CC(C)CC(C)C1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2286 |
| logD: | 2.1921 |
| logSw: | -2.0535 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.71 |
| InChI Key: | JLLQEHPUIHEROX-UHFFFAOYSA-N |