2-{[5-(4,5-dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-{[5-(4,5-dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
2-{[5-(4,5-dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | Y500-8627 |
| Compound Name: | 2-{[5-(4,5-dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 482.26 |
| Molecular Formula: | C14 H18 Br2 N4 O S2 |
| Smiles: | CCn1c(c2cc(c(s2)[Br])[Br])nnc1SCC(NCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.14 |
| logD: | 4.1395 |
| logSw: | -4.0325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.727 |
| InChI Key: | CDXXBNNZYSSYAR-UHFFFAOYSA-N |