1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0783 |
| Compound Name: | 1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C26 H32 N6 O2 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3cc(C)ccc3C)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9663 |
| logD: | 3.9663 |
| logSw: | -3.9383 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.326 |
| InChI Key: | HGQOGWIRDXFHOY-UHFFFAOYSA-N |