2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5582 |
| Compound Name: | 2-cyano-3-[1-(2-methyl-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 448.38 |
| Molecular Formula: | C18 H11 F3 N6 O3 S |
| Smiles: | Cc1cc(ccc1n1cccc1/C=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.94 |
| logD: | 0.5 |
| logSw: | -5.87 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.44 |
| InChI Key: | MLAKTKUCXBPRHT-UHFFFAOYSA-N |