7-[(4-chlorophenyl)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-[(4-chlorophenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)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: | C470-0214 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 496.95 |
| Molecular Formula: | C24 H25 Cl N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)C(c3ccco3)=O)n2Cc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5406 |
| logD: | 2.5404 |
| logSw: | -2.968 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.448 |
| InChI Key: | ZSVUWXSXQHAUMJ-UHFFFAOYSA-N |