N-(2-cyanophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-cyanophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8008-7500 |
| Compound Name: | N-(2-cyanophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C12 H11 N5 O S |
| Smiles: | Cc1nnc([nH]1)SCC(Nc1ccccc1C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5067 |
| logD: | 0.0875 |
| logSw: | -2.3382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.866 |
| InChI Key: | UIURNIODMYTHRL-UHFFFAOYSA-N |