3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0081 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 502.95 |
| Molecular Formula: | C22 H20 Cl F N6 O3 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc(cc1)[Cl])nn2)O)S(c1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1536 |
| logD: | 2.6995 |
| logSw: | -3.2254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.265 |
| InChI Key: | RCCSELMRRZFKON-UHFFFAOYSA-N |