2-cyano-3-{4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0049 |
| Compound Name: | 2-cyano-3-{4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | COc1ccccc1OCCOc1ccc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.66 |
| logD: | 3.99 |
| logSw: | -5.57 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 200.94 |
| InChI Key: | CARAYCQWYPJPJA-UHFFFAOYSA-N |