N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3737-0758 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethoxy-3-nitrobenzamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1cccc(c1C)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3198 |
| logD: | 5.3196 |
| logSw: | -5.3436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.371 |
| InChI Key: | OPUVIRBXVNQURH-UHFFFAOYSA-N |