5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0014 |
| Compound Name: | 5-[1-(benzenesulfonyl)piperidin-3-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 534.52 |
| Molecular Formula: | C23 H21 F3 N6 O4 S |
| Smiles: | C1CC(CN(C1)S(c1ccccc1)(=O)=O)c1nc(c2c(n1)n(Cc1ccc(cc1)OC(F)(F)F)nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5657 |
| logD: | 3.1117 |
| logSw: | -3.636 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.135 |
| InChI Key: | LHXPOJCNIPMOTM-INIZCTEOSA-N |