2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D458-0397 |
| Compound Name: | 2-[2-(4-tert-butylphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C25 H34 N6 O2 |
| Smiles: | Cc1c(CC(N2CCN(CC2)CCO)=O)c(C)n2c(n1)nc(c1ccc(cc1)C(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.095 |
| logD: | 3.0483 |
| logSw: | -2.8788 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.671 |
| InChI Key: | IFSDIYMXNDGMNQ-UHFFFAOYSA-N |