1-{4-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[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-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0771 |
| Compound Name: | 1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C24 H27 Cl N6 O2 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3cccc(c3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.392 |
| logD: | 3.392 |
| logSw: | -3.6626 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.627 |
| InChI Key: | IYALOMCRADYHIU-UHFFFAOYSA-N |