2-(4-chlorophenoxy)-1-(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(4-chlorophenoxy)-1-(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D327-0162 |
| Compound Name: | 2-(4-chlorophenoxy)-1-(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C25 H25 Cl N6 O3 |
| Smiles: | Cc1cccc(Cn2c3c(c(nc(C4CCN(CC4)C(COc4ccc(cc4)[Cl])=O)n3)O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3908 |
| logD: | 2.9368 |
| logSw: | -3.6133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.174 |
| InChI Key: | VKRBQOVYAANQRQ-UHFFFAOYSA-N |