2-cyano-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0013 |
| Compound Name: | 2-cyano-3-{4-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CC(C)c1ccc(C)cc1OCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.03 |
| logD: | 2.68 |
| logSw: | -5.82 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.59 |
| InChI Key: | KPQPGSSMJCXBIG-UHFFFAOYSA-N |