8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0739 |
| Compound Name: | 8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H31 F N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccc(cc3)F)n2CCCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2123 |
| logD: | 4.2105 |
| logSw: | -4.1471 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.652 |
| InChI Key: | YWFUKHBKADFSCL-UHFFFAOYSA-N |