methyl 4-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
methyl 4-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
Compound characteristics
| Compound ID: | D122-0016 |
| Compound Name: | methyl 4-({5-[1-(2-chlorobenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate |
| Molecular Weight: | 543 |
| Molecular Formula: | C24 H23 Cl N6 O5 S |
| Smiles: | COC(c1ccc(Cn2c3c(c(nc(C4CCN(CC4)S(c4ccccc4[Cl])(=O)=O)n3)O)nn2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9465 |
| logD: | 2.4925 |
| logSw: | -3.3665 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.439 |
| InChI Key: | PWQJRCYSARDHCX-UHFFFAOYSA-N |