2-{2-cyano-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]ethenyl}benzoic acid
Chemical Structure Depiction of
2-{2-cyano-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]ethenyl}benzoic acid
2-{2-cyano-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]ethenyl}benzoic acid
Compound characteristics
| Compound ID: | 8011-2406 |
| Compound Name: | 2-{2-cyano-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]ethenyl}benzoic acid |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C22 H12 N2 O4 S |
| Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O)/c1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4569 |
| logD: | -0.0931 |
| logSw: | -4.5337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.087 |
| InChI Key: | XJXISEVFMYRECH-UHFFFAOYSA-N |