1-(4-bromophenyl)-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8006-4942 |
| Compound Name: | 1-(4-bromophenyl)-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 374.26 |
| Molecular Formula: | C16 H12 Br N3 O S |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)Sc1nc(c2ccccc2)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.23 |
| logD: | 3.6767 |
| logSw: | -4.3832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.721 |
| InChI Key: | RYWSMXLAHOEFDC-UHFFFAOYSA-N |