4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide
Chemical Structure Depiction of
4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide
4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | E596-0863 |
| Compound Name: | 4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[3-(methylsulfanyl)phenyl]butanamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(Nc3cccc(c3)SC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6803 |
| logD: | 3.6803 |
| logSw: | -4.0369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.146 |
| InChI Key: | ZIYMLDRUPHCOCT-UHFFFAOYSA-N |