7-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-dichlorophenyl)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: | C470-0429 |
| Compound Name: | 7-[(2,4-dichlorophenyl)methyl]-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 531.4 |
| Molecular Formula: | C24 H24 Cl2 N6 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)C(c3ccco3)=O)n2Cc2ccc(cc2[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.317 |
| logD: | 3.3168 |
| logSw: | -3.4478 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.448 |
| InChI Key: | YMBXFMDKSXTSAE-UHFFFAOYSA-N |