2-cyano-3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0108 |
| Compound Name: | 2-cyano-3-[1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | Cc1cccc(c1C)n1c(C)cc(/C=C(/C#N)C(Nc2ncc(C)s2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.35 |
| logD: | 4.86 |
| logSw: | -6.09 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.15 |
| InChI Key: | IZJSSYZCPZZFTJ-UHFFFAOYSA-N |