2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-1993 |
| Compound Name: | 2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 418.4 |
| Molecular Formula: | C21 H11 F N4 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(c2ccccc2F)s1)=O)\C1=COc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.96 |
| logD: | 2.16 |
| logSw: | -4.88 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.26 |
| InChI Key: | FOSBLHXVXLQMAO-UHFFFAOYSA-N |