2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | 8017-8118 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C17 H18 N10 O3 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(CSc2nnc3n(cnn23)N)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.4709 |
| logD: | -0.9531 |
| logSw: | -2.2479 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 137.66 |
| InChI Key: | NBVNVHGAYPXONF-UHFFFAOYSA-N |