2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile
Chemical Structure Depiction of
2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile
2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 1433-0082 |
| Compound Name: | 2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-[4-(propan-2-yl)phenyl]prop-2-enenitrile |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C24 H18 N2 O2 S |
| Smiles: | CC(C)c1ccc(\C=C(/C#N)c2nc(cs2)C2=Cc3ccccc3OC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2118 |
| logD: | 6.2118 |
| logSw: | -5.7177 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.679 |
| InChI Key: | XKUIHBSDHMESFS-UHFFFAOYSA-N |