8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-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]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0734 |
| Compound Name: | 8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C23 H32 N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)CCO)n2CCCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7862 |
| logD: | 1.4081 |
| logSw: | -1.7676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.837 |
| InChI Key: | AIKJMBNKFCUKMJ-UHFFFAOYSA-N |