2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | L397-0260 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(3-methylbutyl)-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C24 H27 F N6 O3 S |
| Smiles: | CC(C)CCN1C2=NN(CC(N3CCN(CC3)c3ccc(cc3)F)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3395 |
| logD: | 3.3395 |
| logSw: | -3.619 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.856 |
| InChI Key: | GWUBHHLTDXVGRR-UHFFFAOYSA-N |