3,3'-[(4,6-dimethyl-1,3-phenylene)bis(sulfonylazanediyl)]dibenzoic acid
Chemical Structure Depiction of
3,3'-[(4,6-dimethyl-1,3-phenylene)bis(sulfonylazanediyl)]dibenzoic acid
3,3'-[(4,6-dimethyl-1,3-phenylene)bis(sulfonylazanediyl)]dibenzoic acid
Compound characteristics
| Compound ID: | Y500-0044 |
| Compound Name: | 3,3'-[(4,6-dimethyl-1,3-phenylene)bis(sulfonylazanediyl)]dibenzoic acid |
| Molecular Weight: | 504.54 |
| Molecular Formula: | C22 H20 N2 O8 S2 |
| Smiles: | Cc1cc(C)c(cc1S(Nc1cccc(c1)C(O)=O)(=O)=O)S(Nc1cccc(c1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7224 |
| logD: | 1.9722 |
| logSw: | -4.3906 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 138.354 |
| InChI Key: | KULMGKUEPKJFPG-UHFFFAOYSA-N |