2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 8014-0343 |
| Compound Name: | 2-{[4-(2,5-dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C27 H28 N4 O S |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2ccccc2)nnc1SCC(Nc1c(C)cc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1287 |
| logD: | 6.1287 |
| logSw: | -5.4713 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.165 |
| InChI Key: | SPRBZHVSEGUOKH-UHFFFAOYSA-N |