1-{4-[4-(4-acetylphenyl)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-(4-acetylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-[4-(4-acetylphenyl)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: | E596-0116 |
| Compound Name: | 1-{4-[4-(4-acetylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C24 H26 N6 O3 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CCCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4448 |
| logD: | 1.4448 |
| logSw: | -2.1792 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.241 |
| InChI Key: | AOQOBYUJJARMND-UHFFFAOYSA-N |