2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0102 |
| Compound Name: | 2-cyano-3-[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | Cc1cccc(C)c1n1c(C)cc(/C=C(/C#N)C(Nc2nc(C)cs2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.63 |
| logD: | 4.15 |
| logSw: | -5.4 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.78 |
| InChI Key: | IKQCPIHGCXOQPZ-UHFFFAOYSA-N |