2-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-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: | P664-0382 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[4-(3-ethyl-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | CCc1nnc2nc(cc(C)n12)N1CCN(CC1)C(Cc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0313 |
| logD: | 2.0311 |
| logSw: | -2.3437 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.618 |
| InChI Key: | YHJDJTHHOZUTNL-UHFFFAOYSA-N |