4-{[(2,4-dimethylphenyl)imino]methyl}phenyl 4-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[(2,4-dimethylphenyl)imino]methyl}phenyl 4-nitrobenzene-1-sulfonate
4-{[(2,4-dimethylphenyl)imino]methyl}phenyl 4-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8005-5268 |
| Compound Name: | 4-{[(2,4-dimethylphenyl)imino]methyl}phenyl 4-nitrobenzene-1-sulfonate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | Cc1ccc(c(C)c1)/N=C/c1ccc(cc1)OS(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2714 |
| logD: | 5.2688 |
| logSw: | -5.3106 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.811 |
| InChI Key: | BIJLNNAZKDTPLV-UHFFFAOYSA-N |