2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 4011-0123 |
| Compound Name: | 2-cyano-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | Cc1ccc(cc1)c1nnc(NC(C(=C/c2cc(c(c(c2)OC)OC)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.53 |
| logD: | 4.44 |
| logSw: | -5.12 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.4 |
| InChI Key: | PBHJYIHTCGKCEA-UHFFFAOYSA-N |