N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 1497-1126 |
| Compound Name: | N-(6-bromo-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 423.2 |
| Molecular Formula: | C14 H7 Br N4 O5 S |
| Smiles: | c1cc2c(cc1[Br])sc(NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.5814 |
| logD: | 4.3463 |
| logSw: | -4.5625 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.854 |
| InChI Key: | ZWXAIOSMWVJCPE-UHFFFAOYSA-N |