2-cyano-3-{1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-{1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5234-2091 |
| Compound Name: | 2-cyano-3-{1-[2-(3,5-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-(4-phenyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C27 H24 N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCCn1cccc1/C=C(/C#N)C(Nc1nc(cs1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.86 |
| logD: | 6.86 |
| logSw: | -7.4 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.77 |
| InChI Key: | JXYLPXWOOBLHJX-UHFFFAOYSA-N |