3-[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5234-0235 |
| Compound Name: | 3-[1-(4-chlorobenzyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 368.84 |
| Molecular Formula: | C18 H13 Cl N4 O S |
| Smiles: | C(c1ccc(cc1)[Cl])n1cccc1/C=C(/C#N)C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.12 |
| logD: | 4.06 |
| logSw: | -4.99 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.67 |
| InChI Key: | RQWXXMXVJNZXRS-UVTDQMKNSA-N |