2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G802-1108 |
| Compound Name: | 2-{[7-(4-ethoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C=Cn2c(C1=O)nnc2SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0872 |
| logD: | 2.0872 |
| logSw: | -2.7696 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.519 |
| InChI Key: | IHWUFVRCQQZHTI-UHFFFAOYSA-N |