4-(4-methyl-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-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(2-phenylethyl)butanamide
4-(4-methyl-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: | E596-0029 |
| Compound Name: | 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(NCCc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2152 |
| logD: | 1.2152 |
| logSw: | -2.1339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.075 |
| InChI Key: | XLEPOTOCCJOKFN-UHFFFAOYSA-N |