3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0932 |
| Compound Name: | 3-[4-(benzyloxy)-3-ethoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nc(ns2)S(CC(C)C)(=O)=O)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.77 |
| logD: | 2.41 |
| logSw: | -5.44 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 205.23 |
| InChI Key: | RAYZJXDASBOOKA-UHFFFAOYSA-N |