2-cyano-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5234-1643 |
| Compound Name: | 2-cyano-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C26 H22 N4 O2 S |
| Smiles: | Cc1cccc(c1)OCCn1cccc1/C=C(/C#N)C(Nc1nc(cs1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.47 |
| logD: | 6.47 |
| logSw: | -7.11 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.44 |
| InChI Key: | PWRCZOCDEFOOQJ-UHFFFAOYSA-N |