3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-5798 |
| Compound Name: | 3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C20 H23 N9 O2 S |
| Smiles: | CN1C(NC(c2c1nc(N1CCCCC1)n2CCSc1nnnn1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7098 |
| logD: | 2.7097 |
| logSw: | -3.2213 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.512 |
| InChI Key: | LGVVFTQTDJGXGV-UHFFFAOYSA-N |