4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}butanamide
Chemical Structure Depiction of
4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}butanamide
4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}butanamide
Compound characteristics
| Compound ID: | E596-0083 |
| Compound Name: | 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}butanamide |
| Molecular Weight: | 479.48 |
| Molecular Formula: | C21 H20 F3 N5 O3 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(NCCOc3cccc(c3)C(F)(F)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.497 |
| logD: | 2.497 |
| logSw: | -2.9976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.493 |
| InChI Key: | JKRJURQXAZFSNZ-UHFFFAOYSA-N |