2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | 4497-0031 |
| Compound Name: | 2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 276.36 |
| Molecular Formula: | C13 H16 N4 O S |
| Smiles: | CCc1nnc([nH]1)SCC(Nc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9614 |
| logD: | 1.6321 |
| logSw: | -2.6214 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.885 |
| InChI Key: | BDQIGMTZFDGCGD-UHFFFAOYSA-N |