1-{4-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-[4-(3-chlorophenyl)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: | E596-0104 |
| Compound Name: | 1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C22 H23 Cl N6 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3cccc(c3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3648 |
| logD: | 2.3648 |
| logSw: | -3.1852 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.415 |
| InChI Key: | KPHBQSLHSMRMFK-UHFFFAOYSA-N |