5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D023-0041 |
| Compound Name: | 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-[(2-bromophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 529.41 |
| Molecular Formula: | C22 H21 Br N6 O3 S |
| Smiles: | C1CC(CN(C1)S(c1ccccc1)(=O)=O)c1nc(c2c(n1)n(Cc1ccccc1[Br])nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1496 |
| logD: | 2.6955 |
| logSw: | -3.1603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.198 |
| InChI Key: | HOBHLDAHLNSSSR-INIZCTEOSA-N |