4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-(4-fluorophenyl)butanamide
Chemical Structure Depiction of
4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-(4-fluorophenyl)butanamide
4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-(4-fluorophenyl)butanamide
Compound characteristics
| Compound ID: | E596-0580 |
| Compound Name: | 4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-(4-fluorophenyl)butanamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C21 H22 F N5 O2 S |
| Smiles: | CCC(C)N1C(c2c(ccs2)n2c(CCCC(Nc3ccc(cc3)F)=O)nnc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1319 |
| logD: | 3.1317 |
| logSw: | -3.577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.451 |
| InChI Key: | UBMLQYYLAAIFAX-ZDUSSCGKSA-N |