methyl 4,5-dimethoxy-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
methyl 4,5-dimethoxy-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | D257-0699 |
| Compound Name: | methyl 4,5-dimethoxy-2-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate |
| Molecular Weight: | 434.42 |
| Molecular Formula: | C19 H18 N2 O8 S |
| Smiles: | COC(c1cc(c(cc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.885 |
| logD: | 0.7495 |
| logSw: | -2.5723 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.07 |
| InChI Key: | LFYITDURLBJZSW-UHFFFAOYSA-N |