dimethyl 5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,3-dicarboxylate
dimethyl 5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | D257-0811 |
| Compound Name: | dimethyl 5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 432.41 |
| Molecular Formula: | C19 H16 N2 O8 S |
| Smiles: | COC(c1cc(cc(c1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9737 |
| logD: | 1.9737 |
| logSw: | -3.0272 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.681 |
| InChI Key: | SAUJBOGMDZQSMD-UHFFFAOYSA-N |