6-nitro-3-[(pyridin-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
6-nitro-3-[(pyridin-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
6-nitro-3-[(pyridin-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 8005-0021 |
| Compound Name: | 6-nitro-3-[(pyridin-3-yl)amino]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 304.28 |
| Molecular Formula: | C12 H8 N4 O4 S |
| Smiles: | c1cc(cnc1)NC1c2ccc(cc2S(N=1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3782 |
| logD: | 1.3609 |
| logSw: | -1.9809 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.744 |
| InChI Key: | MDGHLSROBTZKJH-UHFFFAOYSA-N |