methyl 4-({5-[1-(2,5-dimethylbenzene-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-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
methyl 4-({5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
Compound characteristics
| Compound ID: | D122-0020 |
| Compound Name: | methyl 4-({5-[1-(2,5-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C26 H28 N6 O5 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1)C(=O)OC)nn2)O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.548 |
| logD: | 3.094 |
| logSw: | -3.4576 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.439 |
| InChI Key: | CZAZYPUTLSHAMP-UHFFFAOYSA-N |