dimethyl 2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,4-dicarboxylate
dimethyl 2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | D034-0272 |
| Compound Name: | dimethyl 2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzene-1,4-dicarboxylate |
| Molecular Weight: | 432.41 |
| Molecular Formula: | C19 H16 N2 O8 S |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2997 |
| logD: | 1.271 |
| logSw: | -2.5959 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.983 |
| InChI Key: | FXJNXUHVOFWAGG-UHFFFAOYSA-N |