1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | D297-0078 |
| Compound Name: | 1-[4-(3-benzyl-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)piperidin-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6408 |
| logD: | 2.1867 |
| logSw: | -2.6244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.174 |
| InChI Key: | CXVWSJPVUWHTCJ-UHFFFAOYSA-N |