2-cyano-3-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0696 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Smiles: | CCc1cc(C)cc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 6.43 |
| logD: | 4.52 |
| logSw: | -7.26 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.48 |
| InChI Key: | RTICFKNZAIKCCY-UHFFFAOYSA-N |