methyl 2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
methyl 2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | D034-0280 |
| Compound Name: | methyl 2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoate |
| Molecular Weight: | 408.81 |
| Molecular Formula: | C17 H13 Cl N2 O6 S |
| Smiles: | COC(c1cc(ccc1[Cl])NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1737 |
| logD: | 2.1735 |
| logSw: | -3.4801 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.507 |
| InChI Key: | KHMQSSIQNQJTQM-UHFFFAOYSA-N |