2-cyano-3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C358-2418 |
| Compound Name: | 2-cyano-3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2-yl]-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 473.46 |
| Molecular Formula: | C19 H10 F3 N7 O S2 |
| Smiles: | C(=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)\c1cccn1c1nnc(c2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.86 |
| logD: | 0.42 |
| logSw: | -5.9 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 177.71 |
| InChI Key: | WODPTQNVSQXNKE-UHFFFAOYSA-N |