3-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5237 |
| Compound Name: | 3-{5-bromo-2-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 513.41 |
| Molecular Formula: | C23 H21 Br N4 O3 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(ccc2OCCOc2ccc(C)cc2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.05 |
| logD: | 4.42 |
| logSw: | -6.97 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 150.18 |
| InChI Key: | XUKFWJSJSGTTEN-UHFFFAOYSA-N |