3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 0526-5752 |
| Compound Name: | 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-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: | 4.6971 |
| logD: | 4.6914 |
| logSw: | -4.5469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.172 |
| InChI Key: | AVLOMTGCJKGBJX-UHFFFAOYSA-N |