N-(2,6-dimethylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7706 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 355.46 |
| Molecular Formula: | C18 H21 N5 O S |
| Smiles: | CCc1nnc(n1n1cccc1)SCC(Nc1c(C)cccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7394 |
| logD: | 2.7394 |
| logSw: | -2.6845 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.148 |
| InChI Key: | CTEJHBQGCJOAHU-UHFFFAOYSA-N |