N-(3,4-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7982 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C21 H20 N6 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(CSc1nnc2NC(C(c3ccc(cc3)OC)=Nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.526 |
| logD: | 3.5239 |
| logSw: | -3.8238 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.722 |
| InChI Key: | PZFSBYOZYMZUFQ-UHFFFAOYSA-N |