methyl 6-oxo-6-{4-[7-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}hexanoate
Chemical Structure Depiction of
methyl 6-oxo-6-{4-[7-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}hexanoate
methyl 6-oxo-6-{4-[7-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}hexanoate
Compound characteristics
| Compound ID: | V030-2066 |
| Compound Name: | methyl 6-oxo-6-{4-[7-(thiophen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperazin-1-yl}hexanoate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C20 H24 N6 O3 S |
| Smiles: | COC(CCCCC(N1CCN(CC1)c1nc2nccc(c3cccs3)n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7734 |
| logD: | 1.7729 |
| logSw: | -2.0682 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.39 |
| InChI Key: | WBWWLMWBPDQDGZ-UHFFFAOYSA-N |