ethyl 4-{2-[(4-butyl-5-oxo-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-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F798-0349 |
| Compound Name: | ethyl 4-{2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C22 H23 N5 O4 S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3705 |
| logD: | 4.3704 |
| logSw: | -3.9121 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.483 |
| InChI Key: | JLXLOJJTLIGPKO-UHFFFAOYSA-N |