8-(3,5-dimethylpiperidin-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-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
8-(3,5-dimethylpiperidin-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: | G856-5800 |
| Compound Name: | 8-(3,5-dimethylpiperidin-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 481.58 |
| Molecular Formula: | C22 H27 N9 O2 S |
| Smiles: | CC1CC(C)CN(C1)c1nc2c(C(NC(N2C)=O)=O)n1CCSc1nnnn1c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4758 |
| logD: | 3.4758 |
| logSw: | -3.7331 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.379 |
| InChI Key: | RMMPOPAAZNBXRM-UHFFFAOYSA-N |