(4-ethylphenyl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(4-ethylphenyl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(4-ethylphenyl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D203-0058 |
| Compound Name: | (4-ethylphenyl)(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 456.55 |
| Molecular Formula: | C26 H28 N6 O2 |
| Smiles: | CCc1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(C)cc1)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7223 |
| logD: | 3.2683 |
| logSw: | -3.8139 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | DLILJRUZXWMBMS-UHFFFAOYSA-N |