(2-chlorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2-chlorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0033 |
| Compound Name: | (2-chlorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 462.94 |
| Molecular Formula: | C24 H23 Cl N6 O2 |
| Smiles: | Cc1cccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4ccccc4[Cl])=O)n3)O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4288 |
| logD: | 2.9748 |
| logSw: | -3.6261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | NUWZBIFKVWSHML-UHFFFAOYSA-N |