3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5965-0012 |
| Compound Name: | 3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C20 H18 N4 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nccs2)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.73 |
| logD: | 3.66 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.18 |
| InChI Key: | VOBXKNLQXDVDQM-UHFFFAOYSA-N |