2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5326 |
| Compound Name: | 2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nnc(CC(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.27 |
| logD: | 3.43 |
| logSw: | -6.22 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.61 |
| InChI Key: | IIYKHQYJAHEOLL-UHFFFAOYSA-N |