7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0402 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C25 H26 Cl F N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccc(cc3)F)n2Cc2cccc(c2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.179 |
| logD: | 4.1789 |
| logSw: | -4.4258 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.673 |
| InChI Key: | LSOSCNRKONLFLO-UHFFFAOYSA-N |