3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-methoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
Chemical Structure Depiction of
3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-methoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-methoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide
Compound characteristics
| Compound ID: | C469-0216 |
| Compound Name: | 3-{4-[2-(4-acetamidophenoxy)ethoxy]-3-methoxyphenyl}-N-(1,3-benzothiazol-2-yl)-2-cyanoprop-2-enamide |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C28 H24 N4 O5 S |
| Smiles: | CC(Nc1ccc(cc1)OCCOc1ccc(\C=C(/C#N)C(Nc2nc3ccccc3s2)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7448 |
| logD: | 4.7149 |
| logSw: | -4.5971 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.69 |
| InChI Key: | NFCKSSBWQPNHCJ-UHFFFAOYSA-N |