2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-tert-butylacetamide
Chemical Structure Depiction of
2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-tert-butylacetamide
2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-tert-butylacetamide
Compound characteristics
| Compound ID: | Y508-3183 |
| Compound Name: | 2-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-tert-butylacetamide |
| Molecular Weight: | 445.38 |
| Molecular Formula: | C20 H21 Br N4 O S |
| Smiles: | CC(C)(C)NC(CSc1nnc(c2cccc(c2)[Br])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9235 |
| logD: | 4.9235 |
| logSw: | -4.6256 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.279 |
| InChI Key: | ASIIWSMEYCFEIB-UHFFFAOYSA-N |