3-(2,5-dimethoxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(2,5-dimethoxyphenyl)-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2188-2316 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-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: | COc1ccc(c(/C=C(/C#N)c2nc(cs2)C2=Cc3ccccc3OC2=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9333 |
| logD: | 4.9333 |
| logSw: | -4.8923 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.853 |
| InChI Key: | DORYDPTZDXHCOH-UHFFFAOYSA-N |