1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0112 |
| Compound Name: | 1-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C21 H22 N6 O4 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)C(c3ccco3)=O)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3541 |
| logD: | 0.3541 |
| logSw: | -1.6183 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.189 |
| InChI Key: | RHKJDRGMCWFOCP-UHFFFAOYSA-N |