1-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0782 |
| Compound Name: | 1-{4-oxo-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C22 H26 N8 O2 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3ncccn3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.973 |
| logD: | 1.973 |
| logSw: | -2.2539 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 78.99 |
| InChI Key: | KHJWQRIZEXCYKK-UHFFFAOYSA-N |