3-{4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C277-4689 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OCCOc1ccccc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.95 |
| logD: | 4.28 |
| logSw: | -5.88 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 204.04 |
| InChI Key: | VPAOMYLGWLALTK-UHFFFAOYSA-N |