3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl chloroacetate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl chloroacetate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl chloroacetate
Compound characteristics
| Compound ID: | 4816-0003 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl chloroacetate |
| Molecular Weight: | 316.76 |
| Molecular Formula: | C12 H13 Cl N2 O4 S |
| Smiles: | C(CNC1c2ccccc2S(N=1)(=O)=O)COC(C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7407 |
| logD: | 0.7407 |
| logSw: | -2.2337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.732 |
| InChI Key: | SHGIOGFWXQKITA-UHFFFAOYSA-N |