1-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Chemical Structure Depiction of
1-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
1-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Compound characteristics
| Compound ID: | 8016-5569 |
| Compound Name: | 1-{[5-(3-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one |
| Molecular Weight: | 430.36 |
| Molecular Formula: | C20 H20 Br N3 O S |
| Smiles: | CC(C)(C)C(CSc1nnc(c2cccc(c2)[Br])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6413 |
| logD: | 5.6413 |
| logSw: | -5.4604 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.231 |
| InChI Key: | XZLQEVNNNXOKSG-UHFFFAOYSA-N |