4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-(2-phenylethyl)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-(2-phenylethyl)butanamide
4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | E596-0820 |
| 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-(2-phenylethyl)butanamide |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C23 H27 N5 O2 S |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(NCCc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6943 |
| logD: | 2.6943 |
| logSw: | -3.1321 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.309 |
| InChI Key: | RHXWPSCDWHXPTF-UHFFFAOYSA-N |