N-(2-cyanophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-cyanophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y505-4322 |
| Compound Name: | N-(2-cyanophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 287.34 |
| Molecular Formula: | C13 H13 N5 O S |
| Smiles: | CCc1nnc([nH]1)SCC(Nc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0186 |
| logD: | 0.6893 |
| logSw: | -2.4135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.244 |
| InChI Key: | QSKPCIZHXQPXDT-UHFFFAOYSA-N |