8-[(4-benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0686 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C25 H36 N6 O2 |
| Smiles: | CCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9089 |
| logD: | 3.6393 |
| logSw: | -3.8472 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.203 |
| InChI Key: | LPRMLAGVDUGSGE-UHFFFAOYSA-N |