7-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y031-6993 |
| Compound Name: | 7-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C18 H20 N6 O5 |
| Smiles: | CN1C(c2c(ncn2CC(N2CCN(CC2)C(c2ccco2)=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8479 |
| logD: | -0.8479 |
| logSw: | -1.142 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.387 |
| InChI Key: | UUIULADBXNQCEH-UHFFFAOYSA-N |