4-methyl-1-{4-oxo-4-[4-(pyrimidin-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-methyl-1-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-methyl-1-{4-oxo-4-[4-(pyrimidin-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: | E596-0117 |
| Compound Name: | 4-methyl-1-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 438.51 |
| Molecular Formula: | C20 H22 N8 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3ncccn3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9458 |
| logD: | 0.9458 |
| logSw: | -1.9086 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.777 |
| InChI Key: | NORIAKIWBYXGJZ-UHFFFAOYSA-N |