2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G856-7714 |
| Compound Name: | 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C17 H19 N5 O2 S |
| Smiles: | CCc1nnc(n1n1cccc1)SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5371 |
| logD: | 2.5371 |
| logSw: | -2.8077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.087 |
| InChI Key: | CMXUQXRDDSJYOK-UHFFFAOYSA-N |