4-{[2-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
4-{[2-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y508-9117 |
| Compound Name: | 4-{[2-(1-methyl-4-nitro-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 443.44 |
| Molecular Formula: | C19 H17 N5 O6 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=N/NC(c2c(cn(C)n2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.537 |
| logD: | 2.2689 |
| logSw: | -2.8261 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.752 |
| InChI Key: | IRLDJTFWPVQBEK-UHFFFAOYSA-N |