2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1048 |
| Compound Name: | 2-cyano-3-{4-[2-(2,6-dimethylphenoxy)ethoxy]-3-ethoxyphenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(CC(C)C)s2)=O)ccc1OCCOc1c(C)cccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.1 |
| logD: | 4.17 |
| logSw: | -7.23 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.3 |
| InChI Key: | XEFBKJMDXTZQMH-UHFFFAOYSA-N |