3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-1202 |
| Compound Name: | 3-{3-chloro-5-ethoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 529.01 |
| Molecular Formula: | C25 H25 Cl N4 O5 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccc(cc2)OC)OCC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.52 |
| logD: | 3.59 |
| logSw: | -6.57 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 174.71 |
| InChI Key: | SWFSGIHNVRXUJV-UHFFFAOYSA-N |