dimethyl 5-[(3-amino-4-{[(pyridin-3-yl)methyl]amino}benzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[(3-amino-4-{[(pyridin-3-yl)methyl]amino}benzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
dimethyl 5-[(3-amino-4-{[(pyridin-3-yl)methyl]amino}benzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | 8011-5595 |
| Compound Name: | dimethyl 5-[(3-amino-4-{[(pyridin-3-yl)methyl]amino}benzene-1-sulfonyl)amino]benzene-1,3-dicarboxylate |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C22 H22 N4 O6 S |
| Smiles: | COC(c1cc(cc(c1)NS(c1ccc(c(c1)N)NCc1cccnc1)(=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6511 |
| logD: | 2.5929 |
| logSw: | -3.0461 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.386 |
| InChI Key: | XQXBQBIQPQXQQD-UHFFFAOYSA-N |