4-(3,4-dimethylphenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(3,4-dimethylphenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | K822-0084 |
| Compound Name: | 4-(3,4-dimethylphenyl)-5-(3-nitrophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2cccc(c2)[N+]([O-])=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.5916 |
| logD: | 3.8407 |
| logSw: | -4.5212 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.355 |
| InChI Key: | IKKGHDIPIKXZCD-UHFFFAOYSA-N |