2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)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-(cyanomethyl)phenyl]acetamide
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8016-0944 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide |
| Molecular Weight: | 328.35 |
| Molecular Formula: | C13 H12 N8 O S |
| Smiles: | C(C#N)c1ccc(cc1)NC(CSc1nnc2n(cnn12)N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5559 |
| logD: | -0.5559 |
| logSw: | -2.0103 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.184 |
| InChI Key: | MYTLNXVJBAPCHJ-UHFFFAOYSA-N |