1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0482 |
| Compound Name: | 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C22 H27 N5 O3 |
| Smiles: | CC1CCN(CC1)Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5221 |
| logD: | 2.4882 |
| logSw: | -2.4839 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.66 |
| InChI Key: | ZQUPUZAIWBORGJ-UHFFFAOYSA-N |