2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 4281-1758 |
| Compound Name: | 2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C21 H19 N3 O7 S |
| Smiles: | C(COCCOC(CN1C(c2ccccc2C1=O)=O)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.502 |
| logD: | 0.5019 |
| logSw: | -2.4157 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.257 |
| InChI Key: | XKBBFPKRMLMFGI-UHFFFAOYSA-N |