4-ethyl-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-ethyl-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-ethyl-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0435 |
| Compound Name: | 4-ethyl-1-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C22 H25 N7 O2 S |
| Smiles: | CCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3ccccn3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9866 |
| logD: | 1.9777 |
| logSw: | -2.152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.885 |
| InChI Key: | MRDJWPZPOCTFCC-UHFFFAOYSA-N |