2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04032 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 468.35 |
| Molecular Formula: | C22 H15 Br F N3 O S |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nnc(c2ccccc2[Br])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9068 |
| logD: | 4.9067 |
| logSw: | -4.9691 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.959 |
| InChI Key: | KDIMROYECXNTJM-UHFFFAOYSA-N |