N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(3-methylphenoxy)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-methylphenoxy)ethoxy]phenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0353 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 526.61 |
| Molecular Formula: | C29 H26 N4 O4 S |
| Smiles: | Cc1cccc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.88 |
| logD: | 4.58 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 166.75 |
| InChI Key: | SJLSOESQSWQDPA-UHFFFAOYSA-N |