5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(3-fluorophenyl)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-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D023-0050 |
| Compound Name: | 5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3-[(3-fluorophenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C22 H20 F2 N6 O3 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccc(c1)F)nn2)O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8484 |
| logD: | 2.3944 |
| logSw: | -3.0501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.265 |
| InChI Key: | SHBJDUWLGWBXAO-UHFFFAOYSA-N |