2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5234-0141 |
| Compound Name: | 2-cyano-3-[1-(3-methylbenzyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 348.42 |
| Molecular Formula: | C19 H16 N4 O S |
| Smiles: | Cc1cccc(Cn2cccc2/C=C(/C#N)C(Nc2nccs2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.17 |
| logD: | 4.11 |
| logSw: | -5.01 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.96 |
| InChI Key: | YBWBSMOMDUNWDF-UHFFFAOYSA-N |