3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5570 |
| Compound Name: | 3-[1-(5-chloro-2,4-dimethoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 483.85 |
| Molecular Formula: | C19 H13 Cl F3 N5 O3 S |
| Smiles: | COc1cc(c(cc1n1cccc1/C=C(/C#N)C(Nc1nnc(C(F)(F)F)s1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 5.02 |
| logD: | 0.58 |
| logSw: | -6.1 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.76 |
| InChI Key: | KQCLRCGYINQQSO-UHFFFAOYSA-N |