2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C679-2004 |
| Compound Name: | 2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 442.5 |
| Molecular Formula: | C24 H18 N4 O3 S |
| Smiles: | CCC(c1ccccc1)c1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.76 |
| logD: | 2 |
| logSw: | -5.44 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 171.56 |
| InChI Key: | FXHGMTNCJULPNK-GOSISDBHSA-N |