N-(1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
N-(1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-0244 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide |
| Molecular Weight: | 359.36 |
| Molecular Formula: | C16 H13 N3 O5 S |
| Smiles: | COc1cc(C(Nc2nc3ccccc3s2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4109 |
| logD: | 3.3573 |
| logSw: | -3.9962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.432 |
| InChI Key: | XOSPPDCMZUZRGJ-UHFFFAOYSA-N |