N-(2,6-dimethylphenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7762 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[5-propyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 369.49 |
| Molecular Formula: | C19 H23 N5 O S |
| Smiles: | CCCc1nnc(n1n1cccc1)SCC(Nc1c(C)cccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2868 |
| logD: | 3.2868 |
| logSw: | -3.2252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.148 |
| InChI Key: | URSOLDOPCFMOFK-UHFFFAOYSA-N |