2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
Chemical Structure Depiction of
2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile
Compound characteristics
| Compound ID: | 0237-0093 |
| Compound Name: | 2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]-3-phenylprop-2-enenitrile |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C21 H12 N2 O2 S |
| Smiles: | C(=C(/C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O)\c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8779 |
| logD: | 4.8779 |
| logSw: | -5.0357 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.679 |
| InChI Key: | JUBIEYVDBZOHNL-UHFFFAOYSA-N |