3-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]benzoic acid
Chemical Structure Depiction of
3-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]benzoic acid
3-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]benzoic acid
Compound characteristics
| Compound ID: | 5983-5241 |
| Compound Name: | 3-[3-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)propanamido]benzoic acid |
| Molecular Weight: | 374.37 |
| Molecular Formula: | C17 H14 N2 O6 S |
| Smiles: | C(CN1C(c2ccccc2S1(=O)=O)=O)C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5921 |
| logD: | -1.2937 |
| logSw: | -2.6563 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.72 |
| InChI Key: | RMBXLLIXMJBXIA-UHFFFAOYSA-N |