N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 1127-1177 |
| Compound Name: | N-(6-acetamido-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 401.35 |
| Molecular Formula: | C16 H11 N5 O6 S |
| Smiles: | CC(Nc1ccc2c(c1)sc(NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1652 |
| logD: | 2.8352 |
| logSw: | -3.5053 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.116 |
| InChI Key: | ITMSXKRAKITXHH-UHFFFAOYSA-N |