2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl benzoate
Chemical Structure Depiction of
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl benzoate
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl benzoate
Compound characteristics
| Compound ID: | 4940-1447 |
| Compound Name: | 2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl benzoate |
| Molecular Weight: | 374.41 |
| Molecular Formula: | C18 H18 N2 O5 S |
| Smiles: | C(COCCOC(c1ccccc1)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9885 |
| logD: | 1.9884 |
| logSw: | -2.8508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.327 |
| InChI Key: | PVMPJPHIMGLJOL-UHFFFAOYSA-N |