2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl pyridine-4-carboxylate
Chemical Structure Depiction of
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl pyridine-4-carboxylate
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl pyridine-4-carboxylate
Compound characteristics
| Compound ID: | 5167-1697 |
| Compound Name: | 2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl pyridine-4-carboxylate |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C17 H17 N3 O5 S |
| Smiles: | C(COCCOC(c1ccncc1)=O)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8445 |
| logD: | 0.8438 |
| logSw: | -1.9461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.756 |
| InChI Key: | BTZSASONLOUMTO-UHFFFAOYSA-N |