2-cyano-3-[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0069 |
| Compound Name: | 2-cyano-3-[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C22 H23 N5 O S |
| Smiles: | CCc1ccc(cc1)n1c(C)cc(/C=C(/C#N)C(Nc2nnc(CC)s2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.91 |
| logD: | 3.66 |
| logSw: | -5.86 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.93 |
| InChI Key: | KBPFUDIIHIAQTH-UHFFFAOYSA-N |