(2-chlorophenyl)(4-{7-hydroxy-3-[(2-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-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2-chlorophenyl)(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0091 |
| Compound Name: | (2-chlorophenyl)(4-{7-hydroxy-3-[(2-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: | Cc1ccccc1Cn1c2c(c(nc(C3CCN(CC3)C(c3ccccc3[Cl])=O)n2)O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.5732 |
| logD: | 3.1192 |
| logSw: | -3.6293 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | KZVSTUGDBZFDMN-UHFFFAOYSA-N |