2-cyano-N~1~-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
2-cyano-N~1~-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-2028 |
| Compound Name: | 2-cyano-N~1~-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C22 H12 F N3 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nc(cs1)c1ccc(cc1)F)=O)\C1=COc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.78 |
| logD: | 4.51 |
| logSw: | -5.58 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.22 |
| InChI Key: | HMBPOPOQKQDMNN-UHFFFAOYSA-N |