2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C370-4682 |
| Compound Name: | 2-cyano-3-[1-(3,4-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | Cc1ccc(cc1C)n1cccc1/C=C(/C#N)C(Nc1nnc(COc2ccccc2C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.46 |
| logD: | 4.34 |
| logSw: | -7.45 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.22 |
| InChI Key: | RTAKJSQODCFIKK-UHFFFAOYSA-N |