N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0237 |
| Compound Name: | N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 477.95 |
| Molecular Formula: | C24 H17 Cl F N5 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(c3ccccc3[Cl])s2)=O)c(C)n1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.55 |
| logD: | 5.4 |
| logSw: | -6.51 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.91 |
| InChI Key: | WMAUYUSXTSMHPY-UHFFFAOYSA-N |