2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y500-8630 |
| Compound Name: | 2-{[5-(4-bromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 387.32 |
| Molecular Formula: | C13 H15 Br N4 O S2 |
| Smiles: | CCn1c(c2cc(cs2)[Br])nnc1SCC(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7513 |
| logD: | 2.7508 |
| logSw: | -3.0269 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.568 |
| InChI Key: | MIXVYMFYDQVCGH-UHFFFAOYSA-N |