5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0430 |
| Compound Name: | 5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C15 H16 N6 O2 S |
| Smiles: | Cc1cccc(c1)n1c(Cn2c(C)c(c(C)n2)[N+]([O-])=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.6664 |
| logD: | 0.4071 |
| logSw: | -1.9096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.767 |
| InChI Key: | LSXPJLREELNKNA-UHFFFAOYSA-N |