(3-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Chemical Structure Depiction of
(3-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
(3-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | D023-0038 |
| Compound Name: | (3-{7-hydroxy-3-[(4-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-methylphenyl)methanone |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | Cc1ccc(cc1)C(N1CCCC(C1)c1nc(c2c(n1)n(Cc1ccc(cc1)OC)nn2)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8102 |
| logD: | 2.0059 |
| logSw: | -2.8939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.679 |
| InChI Key: | XLOZFWHZHNOYNZ-IBGZPJMESA-N |