N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0138 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(2-methylphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | Cc1ccccc1OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.14 |
| logD: | 4.83 |
| logSw: | -6.86 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.46 |
| InChI Key: | XKOWTGAXUMOYDG-UHFFFAOYSA-N |