3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2188-1743 |
| Compound Name: | 3-(3-ethoxy-4-hydroxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C23 H16 N2 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)c2nc(cs2)C2=Cc3ccccc3OC2=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.5741 |
| logD: | 4.5716 |
| logSw: | -4.2759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.437 |
| InChI Key: | KOERAINZQDPJLI-UHFFFAOYSA-N |