1-(4-bromophenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8415-04056 |
| Compound Name: | 1-(4-bromophenyl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 450.36 |
| Molecular Formula: | C22 H16 Br N3 O S |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.522 |
| logD: | 5.522 |
| logSw: | -5.9454 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.959 |
| InChI Key: | XYIHGAYTYJSSDJ-UHFFFAOYSA-N |