8-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8009-4192 |
| Compound Name: | 8-[(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.26 |
| Molecular Formula: | C14 H12 Br N7 O2 S |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nc3cc(cnc3[nH]2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1797 |
| logD: | 2.1732 |
| logSw: | -2.5753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.573 |
| InChI Key: | PHUHJKLNCWRURD-UHFFFAOYSA-N |