2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-0331 |
| Compound Name: | 2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 384.33 |
| Molecular Formula: | C15 H11 F3 N4 O3 S |
| Smiles: | COc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.16 |
| logD: | -1.37 |
| logSw: | -4.04 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.31 |
| InChI Key: | QQHWKARKBRWVPU-UHFFFAOYSA-N |