5-[1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
5-[1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D203-0117 |
| Compound Name: | 5-[1-(5-fluoro-2-methylbenzene-1-sulfonyl)piperidin-4-yl]-3-[(2-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 500.53 |
| Molecular Formula: | C23 H22 F2 N6 O3 S |
| Smiles: | Cc1ccc(cc1S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.4069 |
| logD: | 2.9529 |
| logSw: | -3.5293 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.265 |
| InChI Key: | OZGMHLKNMOIFEV-UHFFFAOYSA-N |