3-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5126 |
| Compound Name: | 3-{3-bromo-5-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 557.47 |
| Molecular Formula: | C25 H25 Br N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCCOc2ccc(C)cc2)OCC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.86 |
| logD: | 3.93 |
| logSw: | -6.88 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.39 |
| InChI Key: | JMMYMGIJGYTAPM-UHFFFAOYSA-N |