4-(4-bromophenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(4-bromophenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(4-bromophenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | K822-0020 |
| Compound Name: | 4-(4-bromophenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 377.22 |
| Molecular Formula: | C14 H9 Br N4 O2 S |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C1=NNC(N1c1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 4.2929 |
| logD: | 2.8896 |
| logSw: | -4.5307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.355 |
| InChI Key: | QFCJBUCOMWUKLI-UHFFFAOYSA-N |