ethyl 4-{2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F798-0149 |
| Compound Name: | ethyl 4-{2-[(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C21 H21 N5 O4 S2 |
| Smiles: | CCCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8962 |
| logD: | 3.8962 |
| logSw: | -3.8817 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.483 |
| InChI Key: | HTZFQJFJRJQWED-UHFFFAOYSA-N |