8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0054 |
| Compound Name: | 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.52 |
| Molecular Formula: | C22 H30 N6 O3 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)CCO)n2CCCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5877 |
| logD: | 1.7109 |
| logSw: | -2.486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.122 |
| InChI Key: | ZMXGKTSBDLVEGI-UHFFFAOYSA-N |