3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-6130 |
| Compound Name: | 3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 501.89 |
| Molecular Formula: | C18 H11 Cl F3 N5 O3 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2cccn2c2cc(ccc2[Cl])C(F)(F)F)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.93 |
| logD: | 1.67 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 194.74 |
| InChI Key: | HXQCIUGWJJAWFV-UHFFFAOYSA-N |