3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5572 |
| Compound Name: | 3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 468.8 |
| Molecular Formula: | C17 H8 Cl F3 N6 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)\c1cccn1c1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.81 |
| logD: | 0.37 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.06 |
| InChI Key: | BILJFZNNKFUDGD-UHFFFAOYSA-N |