7-(2-ethoxyethyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-ethoxyethyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-ethoxyethyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0586 |
| Compound Name: | 7-(2-ethoxyethyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C18 H30 N6 O4 |
| Smiles: | CCOCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)CCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0702 |
| logD: | -0.4483 |
| logSw: | 0.2749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.086 |
| InChI Key: | ZWZLYAUOJKINPQ-UHFFFAOYSA-N |