4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
Chemical Structure Depiction of
4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
Compound characteristics
| Compound ID: | E596-0254 |
| Compound Name: | 4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 493.51 |
| Molecular Formula: | C22 H22 F3 N5 O3 S |
| Smiles: | COCCCN1C(c2c(ccs2)n2c(CCCC(Nc3cccc(c3)C(F)(F)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2155 |
| logD: | 3.2147 |
| logSw: | -3.6499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.466 |
| InChI Key: | REUWIUHPLBOTPY-UHFFFAOYSA-N |