2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | Y202-9878 |
| Compound Name: | 2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide |
| Molecular Weight: | 437.38 |
| Molecular Formula: | C17 H17 Br N4 O S2 |
| Smiles: | CCn1c(c2cc(cs2)[Br])nnc1SCC(Nc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1303 |
| logD: | 4.1302 |
| logSw: | -4.0639 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.435 |
| InChI Key: | XSHHDXHTHWYYRM-UHFFFAOYSA-N |