3-(5-bromo-2-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(5-bromo-2-{2-[2-(4-methylphenoxy)ethoxy]ethoxy}phenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5294 |
| Compound Name: | 3-(5-bromo-2-{2-[2-(4-methylphenoxy)ethoxy]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(ccc2OCCOCCOc2ccc(C)cc2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.87 |
| logD: | 4.24 |
| logSw: | -6.66 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.1 |
| InChI Key: | VMAFRIYBUSDTKW-UHFFFAOYSA-N |