2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl pyridine-3-carboxylate
Chemical Structure Depiction of
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl pyridine-3-carboxylate
2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl pyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5251-2426 |
| Compound Name: | 2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl pyridine-3-carboxylate |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C15 H13 N3 O4 S |
| Smiles: | C(COC(c1cccnc1)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1481 |
| logD: | 1.1481 |
| logSw: | -1.8652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.574 |
| InChI Key: | KLPWQSDNGJYNTH-UHFFFAOYSA-N |