N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-3765 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 445.46 |
| Molecular Formula: | C21 H18 F3 N5 O S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccn2c2cccc(c2)C(F)(F)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.85 |
| logD: | 4.01 |
| logSw: | -6.5 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.89 |
| InChI Key: | FCEHYNFYQKHVHA-UHFFFAOYSA-N |