7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0008 |
| Compound Name: | 7-benzyl-8-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H23 F N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(N1CCN(CC1)c1ccc(cc1)F)n2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9096 |
| logD: | 3.9096 |
| logSw: | -3.9233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.872 |
| InChI Key: | SHJDEZVDFBJUNM-UHFFFAOYSA-N |