N-(4-acetylphenyl)-2-{[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-6469 |
| Compound Name: | N-(4-acetylphenyl)-2-{[4-ethyl-5-(5-ethylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | CCc1cc(cs1)c1nnc(n1CC)SCC(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7871 |
| logD: | 3.7869 |
| logSw: | -3.8702 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.96 |
| InChI Key: | IWSKEULQRGWULZ-UHFFFAOYSA-N |