N-(4-cyanophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(4-cyanophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8016-6405 |
| Compound Name: | N-(4-cyanophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 273.31 |
| Molecular Formula: | C12 H11 N5 O S |
| Smiles: | Cn1cnnc1SCC(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8502 |
| logD: | 0.8499 |
| logSw: | -2.1928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.938 |
| InChI Key: | UUKNDJOTYURJEL-UHFFFAOYSA-N |