ethyl 5-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-5-oxopentanoate
Chemical Structure Depiction of
ethyl 5-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-5-oxopentanoate
ethyl 5-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-5-oxopentanoate
Compound characteristics
| Compound ID: | V001-6886 |
| Compound Name: | ethyl 5-{4-[6-(3-ethoxy-3-oxopropyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl}-5-oxopentanoate |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C22 H32 N6 O5 |
| Salt: | not_available |
| Smiles: | CCOC(CCCC(N1CCN(CC1)c1c(CCC(=O)OCC)c(C)nc2ncnn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4902 |
| logD: | 1.4609 |
| logSw: | -1.4886 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.093 |
| InChI Key: | LWJBWBXOPQDLNL-UHFFFAOYSA-N |