1-{4-[4-(4-methoxyphenyl)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-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-[4-(4-methoxyphenyl)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: | E596-0776 |
| Compound Name: | 1-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 494.62 |
| Molecular Formula: | C25 H30 N6 O3 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3ccc(cc3)OC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9123 |
| logD: | 2.9119 |
| logSw: | -3.3943 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.171 |
| InChI Key: | QDIIPCPWNSWAIS-UHFFFAOYSA-N |