N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-4-nitrobenzamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | 4100-3258 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C16 H13 N3 O5 S2 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9939 |
| logD: | 2.9676 |
| logSw: | -3.5637 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.921 |
| InChI Key: | NSXFBBSQBKARFD-UHFFFAOYSA-N |