N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0531 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 542.61 |
| Molecular Formula: | C29 H26 N4 O5 S |
| Smiles: | COc1cccc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.44 |
| logD: | 4.13 |
| logSw: | -6.31 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 187.18 |
| InChI Key: | XDDNIKCNQGLJDH-UHFFFAOYSA-N |