2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)acrylamide
2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 3948-0408 |
| Compound Name: | 2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2,3,4-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 414.36 |
| Molecular Formula: | C16 H13 F3 N4 O4 S |
| Smiles: | COc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.36 |
| logD: | -0.87 |
| logSw: | -4.13 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.92 |
| InChI Key: | WEGYIRHXTCTKSO-UHFFFAOYSA-N |