N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0487 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C30 H28 N4 O4 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)ccc1OCCOc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.96 |
| logD: | 4.65 |
| logSw: | -6.76 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.69 |
| InChI Key: | SZHGPWSQMRHCJT-UHFFFAOYSA-N |