1-(4-bromophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-bromophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 7919-0011 |
| Compound Name: | 1-(4-bromophenyl)-2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 326.21 |
| Molecular Formula: | C12 H12 Br N3 O S |
| Smiles: | CCc1nnc([nH]1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5626 |
| logD: | 2.2229 |
| logSw: | -2.7289 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.983 |
| InChI Key: | HHWSWMVLIMLNAF-UHFFFAOYSA-N |