3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | C469-0217 |
| Compound Name: | 3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-ethoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C29 H26 N4 O5 S |
| Smiles: | CCOc1cc(\C=C(/C#N)C(Nc2nc3ccccc3s2)=O)ccc1OCCOc1ccc(cc1)NC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8905 |
| logD: | 4.8605 |
| logSw: | -4.6178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.27 |
| InChI Key: | VZRUHCQWGNMLBX-UHFFFAOYSA-N |