5-[1-(4-fluorobenzene-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-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(4-fluorobenzene-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: | D122-0018 |
| Compound Name: | 5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-{[4-(trifluoromethoxy)phenyl]methyl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 552.51 |
| Molecular Formula: | C23 H20 F4 N6 O4 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc(cc1)OC(F)(F)F)nn2)O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9175 |
| logD: | 3.4635 |
| logSw: | -3.9717 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.201 |
| InChI Key: | XMMRVTCCBNJINS-UHFFFAOYSA-N |