7-(2-ethoxyethyl)-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-ethoxyethyl)-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-ethoxyethyl)-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0594 |
| Compound Name: | 7-(2-ethoxyethyl)-8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C21 H28 N6 O5 |
| Smiles: | CCOCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(c1ccco1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7782 |
| logD: | 0.7779 |
| logSw: | -1.2285 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.675 |
| InChI Key: | PNWRNTLBSSSFOY-UHFFFAOYSA-N |