3-{3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-1194 |
| Compound Name: | 3-{3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 587.49 |
| Molecular Formula: | C26 H27 Br N4 O5 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(C)C)s2)=O)cc(c1OCCOc1cccc(c1)OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.87 |
| logD: | 3.96 |
| logSw: | -7 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 176.76 |
| InChI Key: | JPVQEFIWHBZJLZ-UHFFFAOYSA-N |