2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G856-3776 |
| Compound Name: | 2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C13 H10 N6 O4 S2 |
| Smiles: | CC1C(N2C(=NN=1)SC(=N2)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.496 |
| logD: | 2.491 |
| logSw: | -2.8432 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.22 |
| InChI Key: | WAUAABSFWIYOOV-UHFFFAOYSA-N |