2-({5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
2-({5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | D203-0163 |
| Compound Name: | 2-({5-[1-(4-fluorobenzene-1-sulfonyl)piperidin-3-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile |
| Molecular Weight: | 493.52 |
| Molecular Formula: | C23 H20 F N7 O3 S |
| Smiles: | C1CC(CN(C1)S(c1ccc(cc1)F)(=O)=O)c1nc(c2c(n1)n(Cc1ccccc1C#N)nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4262 |
| logD: | 1.9722 |
| logSw: | -2.7987 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.254 |
| InChI Key: | WDTDIPGMRCZRNO-KRWDZBQOSA-N |