3-{4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5173 |
| Compound Name: | 3-{4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 577.88 |
| Molecular Formula: | C24 H22 Br Cl N4 O4 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccc(cc2)[Br])OCC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.38 |
| logD: | 4.44 |
| logSw: | -7.53 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.02 |
| InChI Key: | MFVSGCQIPPAXEP-UHFFFAOYSA-N |