2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4439 |
| Compound Name: | 2-cyano-N~1~-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-[1-(2-methoxy-5-methylphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C24 H18 F N5 O2 S |
| Smiles: | Cc1ccc(c(c1)n1cccc1/C=C(/C#N)C(Nc1nnc(c2ccccc2F)s1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.42 |
| logD: | 5 |
| logSw: | -6.5 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 130.91 |
| InChI Key: | IRJZVFDSZNWNBI-UHFFFAOYSA-N |