8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0495 |
| Compound Name: | 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C26 H27 F N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccccc3F)n2CC(c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9337 |
| logD: | 2.9335 |
| logSw: | -3.3834 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.619 |
| InChI Key: | XFMNQTSFJMWJKY-UHFFFAOYSA-N |