2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6330 |
| Compound Name: | 2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 306.38 |
| Molecular Formula: | C14 H18 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nnc(C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5475 |
| logD: | 1.5474 |
| logSw: | -2.4535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.372 |
| InChI Key: | VQDFYROOSXPAKJ-UHFFFAOYSA-N |