2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0833 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C27 H30 N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(CC(C)C)s2)=O)ccc1OCCOc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.78 |
| logD: | 3.85 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.75 |
| InChI Key: | VUVQVQJSOCAORW-UHFFFAOYSA-N |