7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(furan-2-carbonyl)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-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0238 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 514.94 |
| Molecular Formula: | C24 H24 Cl F N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)C(c3ccco3)=O)n2Cc2c(cccc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.559 |
| logD: | 2.5589 |
| logSw: | -3.033 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.448 |
| InChI Key: | QHFGRJQHXHHEFA-UHFFFAOYSA-N |