3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 0237-0070 |
| Compound Name: | 3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C23 H17 N3 O2 S |
| Smiles: | CN(C)c1ccc(\C=C(/C#N)c2nc(cs2)C2=Cc3ccccc3OC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9636 |
| logD: | 4.9636 |
| logSw: | -4.8043 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.483 |
| InChI Key: | RZVDFFDMRTUESQ-UHFFFAOYSA-N |