2-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
2-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | D203-0162 |
| Compound Name: | 2-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzonitrile |
| Molecular Weight: | 509.97 |
| Molecular Formula: | C23 H20 Cl N7 O3 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccccc1C#N)nn2)O)S(c1ccccc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6934 |
| logD: | 2.2393 |
| logSw: | -3.3681 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.321 |
| InChI Key: | CGQOXQZHNLXULW-UHFFFAOYSA-N |