3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0164 |
| Compound Name: | 3-[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | Cc1c(cccc1[Cl])n1c(C)cc(/C=C(/C#N)C(Nc2nccs2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.56 |
| logD: | 4.49 |
| logSw: | -5.3 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.47 |
| InChI Key: | ZMPVORTYNZTAFD-UHFFFAOYSA-N |