N-(2,3-dimethylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,3-dimethylphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7707 |
| Compound Name: | N-(2,3-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(Nc1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1852 |
| logD: | 3.1852 |
| logSw: | -3.1315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.846 |
| InChI Key: | ISUBFZMMYUAQJX-UHFFFAOYSA-N |