2-(4-ethoxyphenyl)-1-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-ethoxyphenyl)-1-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethan-1-one
2-(4-ethoxyphenyl)-1-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | P664-0357 |
| Compound Name: | 2-(4-ethoxyphenyl)-1-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CCc1nnc2nc(cc(C)n12)N1CCN(CC1)C(Cc1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7817 |
| logD: | 2.7816 |
| logSw: | -2.9308 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.481 |
| InChI Key: | HRLLLQBOYPKMJY-UHFFFAOYSA-N |