5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-8210 |
| Compound Name: | 5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C16 H18 N6 O3 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2c2cccc(c2)OC)S)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6767 |
| logD: | 0.4174 |
| logSw: | -1.8207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.289 |
| InChI Key: | TYTVCIUEWWAGKM-UHFFFAOYSA-N |