methyl 6-{4-[6-(2-ethoxy-2-oxoethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-6-oxohexanoate
Chemical Structure Depiction of
methyl 6-{4-[6-(2-ethoxy-2-oxoethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-6-oxohexanoate
methyl 6-{4-[6-(2-ethoxy-2-oxoethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-6-oxohexanoate
Compound characteristics
| Compound ID: | V011-4493 |
| Compound Name: | methyl 6-{4-[6-(2-ethoxy-2-oxoethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-6-oxohexanoate |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C21 H30 N6 O5 |
| Smiles: | CCOC(Cc1c(C)nc2ncnn2c1N1CCN(CC1)C(CCCCC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8492 |
| logD: | 0.7619 |
| logSw: | -1.0416 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.513 |
| InChI Key: | GORRBVGCZUNHAA-UHFFFAOYSA-N |