3-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[(pyridin-4-yl)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-[(pyridin-4-yl)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-[(pyridin-4-yl)methyl]propanamide
Compound characteristics
| Compound ID: | C200-7861 |
| 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-[(pyridin-4-yl)methyl]propanamide |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCC(NCc3ccncc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3948 |
| logD: | 1.3915 |
| logSw: | -1.8901 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.896 |
| InChI Key: | XCSOARLTSQFHOO-UHFFFAOYSA-N |