1-(4-{3-[(4-tert-butylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{3-[(4-tert-butylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one
1-(4-{3-[(4-tert-butylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | D264-0851 |
| Compound Name: | 1-(4-{3-[(4-tert-butylphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Smiles: | CC(C)(C)c1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(Cc4ccsc4)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1935 |
| logD: | 3.7395 |
| logSw: | -4.0594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.693 |
| InChI Key: | GPAIEGFRVCHGJG-UHFFFAOYSA-N |