N-(4-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide
N-(4-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 3996-0038 |
| Compound Name: | N-(4-{[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide |
| Molecular Weight: | 304.37 |
| Molecular Formula: | C14 H16 N4 O2 S |
| Smiles: | CCc1nnc([nH]1)SCC(c1ccc(cc1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9299 |
| logD: | 0.5902 |
| logSw: | -2.211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.245 |
| InChI Key: | CBKLQLVHOLSYHY-UHFFFAOYSA-N |