N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | 0526-5751 |
| Compound Name: | N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(c1ccc(c(C)c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.7525 |
| logD: | 4.7484 |
| logSw: | -4.6037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.295 |
| InChI Key: | RJNWLSBKNUBUQD-UHFFFAOYSA-N |