3-(1-benzyl-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-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0043 |
| Compound Name: | 3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C21 H20 N4 O S |
| Smiles: | Cc1csc(NC(C(=C/c2cc(C)n(Cc3ccccc3)c2C)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.12 |
| logD: | 3.63 |
| logSw: | -4.58 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.96 |
| InChI Key: | CGIHESYUYRBZTB-UHFFFAOYSA-N |