N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-9759 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 329.33 |
| Molecular Formula: | C15 H11 N3 O4 S |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3888 |
| logD: | 3.3777 |
| logSw: | -3.9854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.802 |
| InChI Key: | IPCROCFOKOCYMJ-UHFFFAOYSA-N |