2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4416 |
| Compound Name: | 2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 460.44 |
| Molecular Formula: | C22 H13 F N6 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(c2ccccc2F)s1)=O)\c1cccn1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 4.69 |
| logSw: | -6.24 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.97 |
| InChI Key: | AKLKCUFYLVEYSI-UHFFFAOYSA-N |