2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-6093 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylamide |
| Molecular Weight: | 467.45 |
| Molecular Formula: | C18 H12 F3 N5 O3 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2cccn2c2cccc(c2)C(F)(F)F)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.48 |
| logD: | 1.22 |
| logSw: | -4.28 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 200.45 |
| InChI Key: | HKKFTSNYZQEZAY-UHFFFAOYSA-N |