1-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0450 |
| Compound Name: | 1-{4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-ethylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 478.62 |
| Molecular Formula: | C25 H30 N6 O2 S |
| Smiles: | CCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3cccc(C)c3C)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4426 |
| logD: | 3.4425 |
| logSw: | -3.6978 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.073 |
| InChI Key: | UBUUFYNEYYLIPZ-UHFFFAOYSA-N |