5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8883 |
| Compound Name: | 5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(2-ethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 372.45 |
| Molecular Formula: | C17 H20 N6 O2 S |
| Smiles: | CCc1ccccc1n1c(C(C)n2c(C)c(c(C)n2)[N+]([O-])=O)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7061 |
| logD: | 0.4989 |
| logSw: | -2.9357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.578 |
| InChI Key: | VHKKLUIGAJZOTM-LBPRGKRZSA-N |