4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 0435-5671 |
| Compound Name: | 4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.627 |
| logD: | 4.6079 |
| logSw: | -4.5245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.172 |
| InChI Key: | YRHUZMBNJLKEGD-UHFFFAOYSA-N |