3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5550 |
| Compound Name: | 3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 468.25 |
| Molecular Formula: | C17 H9 Br F3 N5 O S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)\c1cccn1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.21 |
| logD: | 0.77 |
| logSw: | -6.44 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 137.41 |
| InChI Key: | CHWYTXSMUBDDQI-UHFFFAOYSA-N |