3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-4457 |
| Compound Name: | 3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 494.34 |
| Molecular Formula: | C22 H13 Br F N5 O S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(c2ccc(cc2)F)s1)=O)\c1cccn1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.03 |
| logD: | 5.96 |
| logSw: | -7.25 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.15 |
| InChI Key: | NVAZCQJZRPDFSS-UHFFFAOYSA-N |