2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Chemical Structure Depiction of
2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol
Compound characteristics
| Compound ID: | D178-0178 |
| Compound Name: | 2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-ol |
| Molecular Weight: | 406.3 |
| Molecular Formula: | C17 H16 Br N3 O2 S |
| Smiles: | C(CSc1nnc(COc2ccc(cc2)[Br])n1c1ccccc1)O |
| Stereo: | ACHIRAL |
| logP: | 3.1007 |
| logD: | 3.1007 |
| logSw: | -3.0406 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.115 |
| InChI Key: | RSLDKRQOGREBHR-UHFFFAOYSA-N |