5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0017 |
| Compound Name: | 5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 562.57 |
| Molecular Formula: | C25 H25 F3 N6 O4 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1)OC(F)(F)F)nn2)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6485 |
| logD: | 4.1945 |
| logSw: | -4.4113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.201 |
| InChI Key: | BSQMLOIJBCRJSJ-UHFFFAOYSA-N |