N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxy-3-nitrobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 8510-0276 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C23 H19 N3 O5 S |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1cc(ccc1OC)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0638 |
| logD: | 5.0598 |
| logSw: | -4.7633 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.002 |
| InChI Key: | SFBVIDJTLJRMOX-UHFFFAOYSA-N |