7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C101-0058 |
| Compound Name: | 7-{2-[(1,3-benzoxazol-2-yl)sulfanyl]ethyl}-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C22 H26 N6 O3 S |
| Smiles: | CC1CC(C)CN(C1)c1nc2c(C(NC(N2C)=O)=O)n1CCSc1nc2ccccc2o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4243 |
| logD: | 4.4243 |
| logSw: | -4.1406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.12 |
| InChI Key: | ZEVXICRMVZSAHV-UHFFFAOYSA-N |