N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1209-0088 |
| Compound Name: | N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | Cc1cc(C)c2c(c1)sc(NC(c1ccc(C)c(c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.0854 |
| logD: | 5.0415 |
| logSw: | -4.9645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.942 |
| InChI Key: | JPTDKMJPFZJJIL-UHFFFAOYSA-N |