N-(2-cyanophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-cyanophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-cyanophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3524-0168 |
| Compound Name: | N-(2-cyanophenyl)-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 259.29 |
| Molecular Formula: | C11 H9 N5 O S |
| Smiles: | C(C(Nc1ccccc1C#N)=O)Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 0.1563 |
| logD: | -0.1982 |
| logSw: | -2.3648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.9 |
| InChI Key: | IRXMXWITJTZGTP-UHFFFAOYSA-N |