2-cyclopentyl-1-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-cyclopentyl-1-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D297-0020 |
| Compound Name: | 2-cyclopentyl-1-(3-{3-[(2,5-dimethylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 448.57 |
| Molecular Formula: | C25 H32 N6 O2 |
| Smiles: | Cc1ccc(C)c(Cn2c3c(c(nc(C4CCCN(C4)C(CC4CCCC4)=O)n3)O)nn2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0017 |
| logD: | 3.1975 |
| logSw: | -3.9831 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.166 |
| InChI Key: | RHORCHUVVQCQDK-IBGZPJMESA-N |