2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5568 |
| Compound Name: | 2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 434.35 |
| Molecular Formula: | C17 H9 F3 N6 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)\c1cccn1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.22 |
| logD: | -0.22 |
| logSw: | -5.17 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 220.05 |
| InChI Key: | MQHSQLQLEKEJNE-UHFFFAOYSA-N |