4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-1299 |
| Compound Name: | 4-{3,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 452.54 |
| Molecular Formula: | C21 H24 N8 O2 S |
| Smiles: | Cc1ccc(Cn2c(C)c(c(C)n2)n2c(CCn3c(C)cc(n3)[N+]([O-])=O)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7266 |
| logD: | -0.7886 |
| logSw: | -1.9147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.138 |
| InChI Key: | IZURUCTYHKGFBD-UHFFFAOYSA-N |