2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D122-0097 |
| Compound Name: | 2-(4-tert-butylphenyl)-1-(3-{7-hydroxy-3-[(thiophen-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)ethan-1-one |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Smiles: | CC(C)(C)c1ccc(CC(N2CCCC(C2)c2nc(c3c(n2)n(Cc2cccs2)nn3)O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3383 |
| logD: | 3.534 |
| logSw: | -4.0853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.627 |
| InChI Key: | DCCDKPKRTSJIHO-SFHVURJKSA-N |