3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4418 |
| Compound Name: | 3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C23 H15 Cl F N5 O2 S |
| Smiles: | COc1ccc(cc1n1cccc1/C=C(/C#N)C(Nc1nnc(c2ccccc2F)s1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.55 |
| logD: | 5.13 |
| logSw: | -6.6 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.21 |
| InChI Key: | IRQMKXJIZGOXHH-UHFFFAOYSA-N |