2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide
Compound characteristics
| Compound ID: | IB02-5781 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}acetamide |
| Molecular Weight: | 641.82 |
| Molecular Formula: | C33 H35 N7 O3 S2 |
| Smiles: | Cc1ccc(cc1)n1c(c2ccc(cc2)C(C)(C)C)nnc1SCC(Nc1ccc(cc1)S(Nc1cc(C)nc(C)n1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.29 |
| logD: | 5.42 |
| logSw: | -6.94 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 212.32 |
| InChI Key: | HYMNULOZCPGFCT-UHFFFAOYSA-N |