3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5166 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 514.99 |
| Molecular Formula: | C24 H23 Cl N4 O5 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccccc2OC)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.95 |
| logD: | 3.02 |
| logSw: | -5.89 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.19 |
| InChI Key: | BMIVJARQAKOONN-UHFFFAOYSA-N |