2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C677-0094 |
| Compound Name: | 2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(Nc1c(C)cc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7722 |
| logD: | 4.7722 |
| logSw: | -4.4956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.34 |
| InChI Key: | XYSJPSULAALIGZ-UHFFFAOYSA-N |