N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide
N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 2652-0344 |
| Compound Name: | N-(2-methyl-1,3-benzothiazol-6-yl)-3,5-dinitrobenzamide |
| Molecular Weight: | 358.33 |
| Molecular Formula: | C15 H10 N4 O5 S |
| Smiles: | Cc1nc2ccc(cc2s1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5926 |
| logD: | 3.5201 |
| logSw: | -3.8413 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.619 |
| InChI Key: | DGZDRDPYCQTCLK-UHFFFAOYSA-N |