1-[3-({5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[3-({5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)phenyl]ethan-1-one
1-[3-({5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | D122-0083 |
| Compound Name: | 1-[3-({5-[1-(2-fluorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)phenyl]ethan-1-one |
| Molecular Weight: | 510.55 |
| Molecular Formula: | C24 H23 F N6 O4 S |
| Smiles: | CC(c1cccc(Cn2c3c(c(nc(C4CCN(CC4)S(c4ccccc4F)(=O)=O)n3)O)nn2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0133 |
| logD: | 1.5592 |
| logSw: | -2.4396 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.091 |
| InChI Key: | RPTHLXHVSBZSBV-UHFFFAOYSA-N |