cyclohexylidene[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Chemical Structure Depiction of
cyclohexylidene[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
cyclohexylidene[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile
Compound characteristics
| Compound ID: | 3331-3746 |
| Compound Name: | cyclohexylidene[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]acetonitrile |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C20 H16 N2 O2 S |
| Smiles: | C1CCC(CC1)=C(C#N)c1nc(cs1)C1=Cc2ccccc2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.7321 |
| logD: | 4.7321 |
| logSw: | -4.8252 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.871 |
| InChI Key: | DMRDSZTVBHERTB-UHFFFAOYSA-N |