2-cyano-3-{4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4272-0142 |
| Compound Name: | 2-cyano-3-{4-[2-(4-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C28 H24 N4 O3 S |
| Smiles: | Cc1ccc(cc1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(c3ccccc3C)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.49 |
| logD: | 6.47 |
| logSw: | -7.27 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 155.67 |
| InChI Key: | ZVFHNNOHBGNHKL-UHFFFAOYSA-N |