2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04047 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 484.8 |
| Molecular Formula: | C22 H15 Br Cl N3 O S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nnc(c2ccccc2[Br])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4724 |
| logD: | 5.4724 |
| logSw: | -6.0394 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.959 |
| InChI Key: | BFBRIXDBRGEAPX-UHFFFAOYSA-N |