4-(4-methyl-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-methyl-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-methyl-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: | E596-0074 |
| Compound Name: | 4-(4-methyl-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: | 413.52 |
| Molecular Formula: | C19 H19 N5 O2 S2 |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(Nc3cccc(c3)SC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2011 |
| logD: | 2.2011 |
| logSw: | -3.0118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.911 |
| InChI Key: | JXYKGQOLPDLPMC-UHFFFAOYSA-N |