(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Chemical Structure Depiction of
(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
(4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | D122-0049 |
| Compound Name: | (4-{7-hydroxy-3-[(2-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone |
| Molecular Weight: | 442.52 |
| Molecular Formula: | C25 H26 N6 O2 |
| Smiles: | Cc1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1C)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5827 |
| logD: | 3.1287 |
| logSw: | -3.2593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | NCSAFBFMGHKTAK-UHFFFAOYSA-N |