2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G856-8072 |
| Compound Name: | 2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C18 H22 N6 O4 S |
| Smiles: | CC(C)(C)C1C(Nc2nnc(n2N=1)SCC(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0328 |
| logD: | 2.0328 |
| logSw: | -2.8442 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.711 |
| InChI Key: | PUNUPGPJDNVKLF-UHFFFAOYSA-N |