2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C146-1167 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}acrylamide |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C24 H24 N4 O5 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2cccc(c2)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.09 |
| logD: | 4.41 |
| logSw: | -6.11 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 219.2 |
| InChI Key: | BCNCKYAHOYMZBP-UHFFFAOYSA-N |