2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-6077 |
| Compound Name: | 2-cyano-3-[1-(4-methylphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C18 H15 N5 O3 S2 |
| Smiles: | Cc1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nc(ns1)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.08 |
| logD: | 0.82 |
| logSw: | -3.91 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 201.41 |
| InChI Key: | PVMJUNKFZKMHGA-UHFFFAOYSA-N |