8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-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-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-5808 |
| Compound Name: | 8-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 548.58 |
| Molecular Formula: | C24 H24 N10 O4 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCN(CC1)C(c1ccco1)=O)n2CCSc1nnnn1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.918 |
| logD: | 1.9179 |
| logSw: | -2.5376 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.546 |
| InChI Key: | DVCGIQHOVXJSOB-UHFFFAOYSA-N |