N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | 4100-3718 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C17 H15 N3 O7 S2 |
| Smiles: | COc1cc(C(Nc2nc3ccc(cc3s2)S(C)(=O)=O)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0963 |
| logD: | 1.9439 |
| logSw: | -3.2383 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.181 |
| InChI Key: | YLVKFYLEUQDSIR-UHFFFAOYSA-N |