4-(2,5-dimethylphenyl)-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-(2,5-dimethylphenyl)-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8801 |
| Compound Name: | 4-(2,5-dimethylphenyl)-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C15 H16 N6 O2 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(CCn2ccc(n2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.0343 |
| logD: | -0.1728 |
| logSw: | -2.1756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.617 |
| InChI Key: | UWGODXITETYNAU-UHFFFAOYSA-N |