8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0137 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)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)c3cccc(c3)[Cl])n2Cc2ccc(cc2)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9857 |
| logD: | 3.9855 |
| logSw: | -4.2853 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.673 |
| InChI Key: | ZMYQZWRRRBNCGA-UHFFFAOYSA-N |