2-cyano-3-{3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C277-5693 |
| Compound Name: | 2-cyano-3-{3,5-dimethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2cc(c(c(c2)OC)OCCOc2cccc(C)c2)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.51 |
| logD: | 4.84 |
| logSw: | -6.39 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 204.74 |
| InChI Key: | CISCTEGZHHKNDZ-UHFFFAOYSA-N |