3-[(2-fluorophenyl)methyl]-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
3-[(2-fluorophenyl)methyl]-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-[(2-fluorophenyl)methyl]-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D203-0120 |
| Compound Name: | 3-[(2-fluorophenyl)methyl]-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C23 H23 F N6 O3 S |
| Smiles: | Cc1ccc(cc1)S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4333 |
| logD: | 2.9793 |
| logSw: | -3.4137 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.265 |
| InChI Key: | LKMSXLKNYLBFPF-UHFFFAOYSA-N |