2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-[(thiophen-2-yl)methyl]-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-[(thiophen-2-yl)methyl]-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-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
| Compound ID: | C200-8717 |
| Compound Name: | 2-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-[(thiophen-2-yl)methyl]-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
| Molecular Weight: | 524.59 |
| Molecular Formula: | C24 H21 F N6 O3 S2 |
| Smiles: | C1CN(CCN1C(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.0193 |
| logD: | 3.0193 |
| logSw: | -3.2588 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.625 |
| InChI Key: | OFFXFFPGIPIXNV-UHFFFAOYSA-N |