2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C679-2023 |
| Compound Name: | 2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 401.4 |
| Molecular Formula: | C20 H11 N5 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(c2cccnc2)s1)=O)\C1=COc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.62 |
| logD: | 1.62 |
| logSw: | -3.78 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.68 |
| InChI Key: | RYABRSLPHDRUIU-UHFFFAOYSA-N |