2-cyano-3-[1-(3,5-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3,5-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(3,5-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3545 |
| Compound Name: | 2-cyano-3-[1-(3,5-dimethylphenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C18 H15 N5 O S |
| Smiles: | Cc1cc(C)cc(c1)n1cccc1/C=C(/C#N)C(Nc1nncs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.92 |
| logD: | 3.08 |
| logSw: | -4.85 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.29 |
| InChI Key: | RSBGRSFIKKPJQJ-UHFFFAOYSA-N |