2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5586 |
| Compound Name: | 2-cyano-3-[1-(4-isopropylphenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 431.44 |
| Molecular Formula: | C20 H16 F3 N5 O S |
| Smiles: | CC(C)c1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.71 |
| logD: | 1.27 |
| logSw: | -6.56 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 141.34 |
| InChI Key: | BQUMRDRGDSEXNH-UHFFFAOYSA-N |