8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0713 |
| Compound Name: | 8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C25 H35 F N6 O2 |
| Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9023 |
| logD: | 4.9009 |
| logSw: | -4.5315 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.622 |
| InChI Key: | CXRPSCKILQQODL-UHFFFAOYSA-N |