3-{4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0271 |
| Compound Name: | 3-{4-[3-(4-chloro-3-methylphenoxy)propoxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | Cc1cc(ccc1[Cl])OCCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.06 |
| logD: | 2.71 |
| logSw: | -5.86 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.86 |
| InChI Key: | JJYIAXCCCWCJNJ-UHFFFAOYSA-N |