3-(2-ethoxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(2-ethoxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(2-ethoxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1246-0631 |
| Compound Name: | 3-(2-ethoxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C23 H16 N2 O3 S |
| Smiles: | CCOc1ccccc1\C=C(/C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 5.3396 |
| logD: | 5.3396 |
| logSw: | -5.3545 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.889 |
| InChI Key: | SCDPGTAZRZGVSR-UHFFFAOYSA-N |