8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0074 |
| Compound Name: | 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(pyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 482.52 |
| Molecular Formula: | C21 H22 N8 O4 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCN(CC1)C(c1ccco1)=O)n2CCSc1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9828 |
| logD: | 0.9827 |
| logSw: | -2.2703 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.782 |
| InChI Key: | KRPQYJALMYJHJE-UHFFFAOYSA-N |