7-nitro-2-(pyridin-4-yl)-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
Chemical Structure Depiction of
7-nitro-2-(pyridin-4-yl)-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
7-nitro-2-(pyridin-4-yl)-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
Compound characteristics
| Compound ID: | 8016-5095 |
| Compound Name: | 7-nitro-2-(pyridin-4-yl)-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol |
| Molecular Weight: | 327.32 |
| Molecular Formula: | C14 H9 N5 O3 S |
| Smiles: | c1cnccc1c1nc2n(C(c3cc(ccc3S2)[N+]([O-])=O)O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0681 |
| logD: | 2.0679 |
| logSw: | -2.3393 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.836 |
| InChI Key: | YCIAUNOMFAQXEH-CYBMUJFWSA-N |