8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0315 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C25 H27 F N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)Cc1ccccc1)n2Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6676 |
| logD: | 2.3961 |
| logSw: | -3.0197 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.868 |
| InChI Key: | ZKZPKIBCOBSMBP-UHFFFAOYSA-N |