7-[(2-chloro-6-fluorophenyl)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-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0235 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 514.96 |
| Molecular Formula: | C25 H25 Cl F2 N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccc(cc3)F)n2Cc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1367 |
| logD: | 4.1365 |
| logSw: | -4.3586 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.673 |
| InChI Key: | XSJHAUXISZLCJY-UHFFFAOYSA-N |