3-{3-chloro-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-{3-chloro-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0100 |
| Compound Name: | 3-{3-chloro-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | Cc1cccc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nccs2)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.25 |
| logD: | 4.98 |
| logSw: | -6.22 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.66 |
| InChI Key: | PEGXHNAYDWKVKT-UHFFFAOYSA-N |