3-{3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-1189 |
| Compound Name: | 3-{3-bromo-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 587.49 |
| Molecular Formula: | C26 H27 Br N4 O5 S |
| Smiles: | CCCc1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCCOc2ccccc2OC)OCC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.66 |
| logD: | 3.73 |
| logSw: | -6.46 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 163.97 |
| InChI Key: | VDMZCMSMXPGVKR-UHFFFAOYSA-N |