3-methyl-8-(3-methylpiperidin-1-yl)-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-(3-methylpiperidin-1-yl)-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-(3-methylpiperidin-1-yl)-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G856-5799 |
| Compound Name: | 3-methyl-8-(3-methylpiperidin-1-yl)-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C21 H25 N9 O2 S |
| Smiles: | CC1CCCN(C1)c1nc2c(C(NC(N2C)=O)=O)n1CCSc1nnnn1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9084 |
| logD: | 2.9083 |
| logSw: | -3.4578 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.445 |
| InChI Key: | IOOSLNVOCPDPFF-AWEZNQCLSA-N |