3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-pyrrol-2-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-pyrrol-2-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-pyrrol-2-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5234-0835 |
| Compound Name: | 3-(1-{2-[4-(tert-butyl)phenoxy]ethyl}-1H-pyrrol-2-yl)-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCCn1cccc1/C=C(/C#N)C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.53 |
| logD: | 5.46 |
| logSw: | -6.29 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.89 |
| InChI Key: | GIHXTDDLWGMAOF-UHFFFAOYSA-N |