4-{[2-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
4-{[2-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y508-8349 |
| Compound Name: | 4-{[2-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)hydrazinylidene]methyl}phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C19 H17 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(/C=N/NC(c2c(cnn2C)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3089 |
| logD: | 3.2299 |
| logSw: | -3.7809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.831 |
| InChI Key: | HEFJRHHOZHXLLO-UHFFFAOYSA-N |