7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0090 |
| Compound Name: | 7-benzyl-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C25 H27 F N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccccc3F)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5515 |
| logD: | 3.5514 |
| logSw: | -3.6319 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.373 |
| InChI Key: | PNYWPJSDFNGWBJ-UHFFFAOYSA-N |