3-{3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1469 |
| Compound Name: | 3-{3-bromo-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 545.41 |
| Molecular Formula: | C23 H21 Br N4 O5 S |
| Smiles: | Cc1nnc(NC(C(=C/c2cc(c(c(c2)[Br])OCCOc2ccc(cc2)OC)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.38 |
| logD: | 2.43 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 184.19 |
| InChI Key: | HQWMCTRZAQXUJF-UHFFFAOYSA-N |