N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4011-0164 |
| Compound Name: | N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C21 H17 Cl N4 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(c3ccccc3[Cl])s2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.53 |
| logD: | 4.05 |
| logSw: | -5.29 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.76 |
| InChI Key: | YKBSINVRECTZRO-UHFFFAOYSA-N |