4-(5-oxo-4-propyl-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-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
4-(5-oxo-4-propyl-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: | E596-0685 |
| Compound Name: | 4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide |
| Molecular Weight: | 463.48 |
| Molecular Formula: | C21 H20 F3 N5 O2 S |
| Smiles: | CCCN1C(c2c(ccs2)n2c(CCCC(Nc3cccc(c3)C(F)(F)F)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8106 |
| logD: | 3.8098 |
| logSw: | -3.9598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.124 |
| InChI Key: | ZAEOCLDRNSDITG-UHFFFAOYSA-N |