5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazole-3-thiol
5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-2180 |
| Compound Name: | 5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 390.3 |
| Molecular Formula: | C17 H16 Br N3 O S |
| Smiles: | CCn1c(c2cccc(COc3ccccc3[Br])c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.4244 |
| logD: | 4.0801 |
| logSw: | -4.5759 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.0249 |
| InChI Key: | MNWKCOUCCCAIFD-UHFFFAOYSA-N |