N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2026-4107 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1cccc(c1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2885 |
| logD: | 5.2884 |
| logSw: | -5.3167 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.069 |
| InChI Key: | PTSBVAHRBOZMFT-UHFFFAOYSA-N |