N-(4-acetylphenyl)-2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
N-(4-acetylphenyl)-2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F798-0381 |
| Compound Name: | N-(4-acetylphenyl)-2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc(cc1)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3112 |
| logD: | 3.311 |
| logSw: | -3.5083 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.556 |
| InChI Key: | JJPQBKFMGWOQBK-UHFFFAOYSA-N |