2-{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
2-{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | Y503-1432 |
| Compound Name: | 2-{[5-(4-bromo-5-ethylthiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 431.41 |
| Molecular Formula: | C16 H23 Br N4 O S2 |
| Smiles: | CCc1c(cc(c2nnc(n2CC)SCC(NCC(C)C)=O)s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3031 |
| logD: | 4.3006 |
| logSw: | -4.097 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.727 |
| InChI Key: | NAACFGGIUSVDTG-UHFFFAOYSA-N |