3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0550 |
| Compound Name: | 3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 441.35 |
| Molecular Formula: | C20 H17 Br N4 O S |
| Smiles: | Cc1csc(NC(C(=C/c2cc(C)n(c3ccc(cc3)[Br])c2C)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.78 |
| logD: | 4.3 |
| logSw: | -5.59 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.46 |
| InChI Key: | NRUXJJZJPNAIBW-UHFFFAOYSA-N |