3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4283 |
| Compound Name: | 3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 466.31 |
| Molecular Formula: | C20 H12 Br N5 O2 S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(c2ccco2)s1)=O)\c1cccn1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 5.03 |
| logSw: | -6.23 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.09 |
| InChI Key: | YHBAGPJXJWGVLR-UHFFFAOYSA-N |