8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0408 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C26 H30 N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)Cc1ccccc1)n2CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.788 |
| logD: | 2.5138 |
| logSw: | -3.3605 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.846 |
| InChI Key: | HTXIMPZAOFTQCA-UHFFFAOYSA-N |