3-{3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1395 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C27 H29 Cl N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(CC(C)C)s2)=O)cc(c1OCCOc1ccc(C)cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.81 |
| logD: | 4.88 |
| logSw: | -7.81 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.2 |
| InChI Key: | AOOPCBJYKNNNNT-UHFFFAOYSA-N |