3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl thiophene-2-carboxylate
Chemical Structure Depiction of
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl thiophene-2-carboxylate
3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 6681-0029 |
| Compound Name: | 3-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]propyl thiophene-2-carboxylate |
| Molecular Weight: | 350.41 |
| Molecular Formula: | C15 H14 N2 O4 S2 |
| Smiles: | C(CNC1c2ccccc2S(N=1)(=O)=O)COC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2082 |
| logD: | 2.2082 |
| logSw: | -2.8914 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.074 |
| InChI Key: | LCDIKTJADGAZJC-UHFFFAOYSA-N |