5-[(3-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
5-[(3-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-9022 |
| Compound Name: | 5-[(3-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 362.25 |
| Molecular Formula: | C15 H12 Br N3 O S |
| Smiles: | C(c1nnc(n1c1ccccc1)S)Oc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3793 |
| logD: | 2.12 |
| logSw: | -3.5731 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | JTXDZJLIAVWZRX-UHFFFAOYSA-N |