methyl 4-({7-hydroxy-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({7-hydroxy-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
methyl 4-({7-hydroxy-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate
Compound characteristics
| Compound ID: | D122-0023 |
| Compound Name: | methyl 4-({7-hydroxy-5-[1-(4-methylbenzene-1-sulfonyl)piperidin-3-yl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl}methyl)benzoate |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C25 H26 N6 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCCC(C1)c1nc(c2c(n1)n(Cc1ccc(cc1)C(=O)OC)nn2)O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0736 |
| logD: | 2.6196 |
| logSw: | -3.148 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.372 |
| InChI Key: | PBEZDRRUBRWTGT-IBGZPJMESA-N |