4-butyl-2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
4-butyl-2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
4-butyl-2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | L397-0481 |
| Compound Name: | 4-butyl-2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C23 H25 F N6 O3 S |
| Smiles: | CCCCN1C2=NN(CC(N3CCN(CC3)c3ccccc3F)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0524 |
| logD: | 3.0524 |
| logSw: | -3.2821 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.555 |
| InChI Key: | KWKJTELLUUXNKD-UHFFFAOYSA-N |