8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0483 |
| Compound Name: | 8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C23 H29 N5 O3 |
| Smiles: | CCC1CCCCN1Cc1nc2c(C(N(C)C(N2C)=O)=O)n1CC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8037 |
| logD: | 2.7217 |
| logSw: | -3.0168 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.472 |
| InChI Key: | MXOVHPDYIXIZIR-KRWDZBQOSA-N |