2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoic acid
2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoic acid
Compound characteristics
| Compound ID: | D257-0782 |
| Compound Name: | 2-chloro-5-[2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamido]benzoic acid |
| Molecular Weight: | 394.79 |
| Molecular Formula: | C16 H11 Cl N2 O6 S |
| Smiles: | C(C(Nc1ccc(c(c1)C(O)=O)[Cl])=O)N1C(c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8289 |
| logD: | -1.9742 |
| logSw: | -3.0878 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.741 |
| InChI Key: | MDXTVRSNGDTUGV-UHFFFAOYSA-N |