2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D327-0153 |
| Compound Name: | 2-(2-chlorophenyl)-1-(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C25 H25 Cl N6 O2 |
| Smiles: | Cc1ccccc1Cn1c2c(c(nc(C3CCN(CC3)C(Cc3ccccc3[Cl])=O)n2)O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.152 |
| logD: | 3.6979 |
| logSw: | -4.0241 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.675 |
| InChI Key: | HNVYERKILFTFKU-UHFFFAOYSA-N |