3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl benzoate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl benzoate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl benzoate
Compound characteristics
| Compound ID: | 4489-8387 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl benzoate |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C17 H16 N2 O4 S |
| Smiles: | C(CNC1c2ccccc2S(N=1)(=O)=O)COC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5401 |
| logD: | 2.5401 |
| logSw: | -3.1112 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.056 |
| InChI Key: | WRQJHPAROVMZAX-UHFFFAOYSA-N |