N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-nitrobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8290-02899 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-nitrobenzamide |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C21 H15 N3 O4 S |
| Smiles: | COc1ccc(cc1NC(c1cccc(c1)[N+]([O-])=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0478 |
| logD: | 5.0397 |
| logSw: | -4.8626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.093 |
| InChI Key: | JCJUFWCULNQKNQ-UHFFFAOYSA-N |