2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C354-0216 |
| Compound Name: | 2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C24 H24 N4 O4 S2 |
| Smiles: | Cc1cc(C)cc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.52 |
| logD: | 4.85 |
| logSw: | -6.28 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.44 |
| InChI Key: | QLKZSNSVVKBFSF-UHFFFAOYSA-N |