8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0636 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.55 |
| Molecular Formula: | C23 H32 N6 O2 |
| Smiles: | CC(C)Cn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7828 |
| logD: | 2.5133 |
| logSw: | -2.9696 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.225 |
| InChI Key: | RSHNPMRMVPAKJL-UHFFFAOYSA-N |