2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5152 |
| Compound Name: | 2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C20 H19 N5 O2 S2 |
| Smiles: | CCOc1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nc(ns1)SCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.09 |
| logD: | 4.49 |
| logSw: | -6.07 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.57 |
| InChI Key: | IQXVIHNLFLTZEJ-UHFFFAOYSA-N |