4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]imino}methyl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]imino}methyl)phenyl 4-methylbenzene-1-sulfonate
4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]imino}methyl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8008-1273 |
| Compound Name: | 4-({[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]imino}methyl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C30 H25 N3 O3 S |
| Smiles: | Cc1ccc(cc1)c1cc(/N=C/c2ccc(cc2)OS(c2ccc(C)cc2)(=O)=O)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.2732 |
| logD: | 7.2721 |
| logSw: | -5.9023 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.291 |
| InChI Key: | DGIGBXAONMNHQR-UHFFFAOYSA-N |