2-(2,5-dimethylphenyl)-1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)propan-1-one
Chemical Structure Depiction of
2-(2,5-dimethylphenyl)-1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)propan-1-one
2-(2,5-dimethylphenyl)-1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | D327-0154 |
| Compound Name: | 2-(2,5-dimethylphenyl)-1-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)propan-1-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C28 H32 N6 O2 |
| Smiles: | CC(C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccc(C)cc1)nn2)O)=O)c1cc(C)ccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5107 |
| logD: | 4.0567 |
| logSw: | -4.1375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | JNTRBCUGLCCCLR-HXUWFJFHSA-N |