2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | Y205-8862 |
| Compound Name: | 2-{[5-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 426.6 |
| Molecular Formula: | C22 H26 N4 O S2 |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc(c2csc(C)c2CC)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7756 |
| logD: | 5.7756 |
| logSw: | -5.4253 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.387 |
| InChI Key: | YZIANRDBTRXJDN-UHFFFAOYSA-N |