3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | C200-7672 |
| Compound Name: | 3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCC(NCc3ccc(cc3)SC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4707 |
| logD: | 3.4707 |
| logSw: | -3.8758 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.468 |
| InChI Key: | LKRFEXOOAKOTQD-UHFFFAOYSA-N |