(2,5-dimethylphenyl)(4-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2,5-dimethylphenyl)(4-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2,5-dimethylphenyl)(4-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D023-0005 |
| Compound Name: | (2,5-dimethylphenyl)(4-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 472.55 |
| Molecular Formula: | C26 H28 N6 O3 |
| Smiles: | Cc1ccc(C)c(c1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(cc1)OC)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3307 |
| logD: | 2.8767 |
| logSw: | -3.1493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.746 |
| InChI Key: | DDPAHBIBDROCEX-UHFFFAOYSA-N |