4-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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: | E596-0890 |
| Compound Name: | 4-(2-methylpropyl)-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: | 480.59 |
| Molecular Formula: | C23 H28 N8 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3ncccn3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.425 |
| logD: | 2.425 |
| logSw: | -2.5208 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 79.011 |
| InChI Key: | DEOPEPHWURCFCW-UHFFFAOYSA-N |