3-[(pyridin-4-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-[(pyridin-4-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-[(pyridin-4-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8019-0329 |
| Compound Name: | 3-[(pyridin-4-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 259.28 |
| Molecular Formula: | C12 H9 N3 O2 S |
| Smiles: | c1ccc2c(c1)C(Nc1ccncc1)=NS2(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0663 |
| logD: | 0.9224 |
| logSw: | -1.9804 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.273 |
| InChI Key: | VZSDIXOLFAXYAA-UHFFFAOYSA-N |