1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D122-0025 |
| Compound Name: | 1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | Cc1ccc(CC(N2CCCC(C2)c2nc(c3c(n2)n(Cc2cccs2)nn3)O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9672 |
| logD: | 2.163 |
| logSw: | -2.8663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.627 |
| InChI Key: | KUDZWSOHNDBSGS-KRWDZBQOSA-N |