2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(4-{[(dimethylamino)methylidene]sulfamoyl}phenyl)acetamide
Chemical Structure Depiction of
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(4-{[(dimethylamino)methylidene]sulfamoyl}phenyl)acetamide
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(4-{[(dimethylamino)methylidene]sulfamoyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 8007-8902 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(4-{[(dimethylamino)methylidene]sulfamoyl}phenyl)acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C14 H17 N9 O3 S2 |
| Smiles: | CN(C)/C=N/S(c1ccc(cc1)NC(CSc1nnc2n(cnn12)N)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.2267 |
| logD: | -1.2269 |
| logSw: | -2.1848 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.512 |
| InChI Key: | HMRWNZXVNQXOMJ-UHFFFAOYSA-N |