2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L397-0674 |
| Compound Name: | 2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 489.43 |
| Molecular Formula: | C21 H14 F3 N5 O4 S |
| Smiles: | C(c1ccco1)N1C2=NN(CC(Nc3ccccc3C(F)(F)F)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3964 |
| logD: | 3.3964 |
| logSw: | -3.9256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.154 |
| InChI Key: | DAYYELJUTHYDPI-UHFFFAOYSA-N |