3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | C469-0215 |
| Compound Name: | 3-{4-[2-(4-acetamidophenoxy)ethoxy]phenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C27 H22 N4 O4 S |
| Smiles: | CC(Nc1ccc(cc1)OCCOc1ccc(\C=C(/C#N)C(Nc2nc3ccccc3s2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0835 |
| logD: | 5.0535 |
| logSw: | -4.8725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.973 |
| InChI Key: | NAAOAQXZFXKLBD-UHFFFAOYSA-N |