7-hexyl-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-hexyl-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-hexyl-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0684 |
| Compound Name: | 7-hexyl-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C20 H34 N6 O3 |
| Smiles: | CCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)CCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9523 |
| logD: | 1.5742 |
| logSw: | -1.957 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.109 |
| InChI Key: | GNAQRWWCWFSHGN-UHFFFAOYSA-N |