3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C469-0291 |
| Compound Name: | 3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-chloro-5-methoxyphenyl)-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 542.01 |
| Molecular Formula: | C25 H24 Cl N5 O5 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCOc2ccc(cc2)NC(C)=O)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.47 |
| logD: | 2.54 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 207.52 |
| InChI Key: | JXUPKVVMCSQNBT-UHFFFAOYSA-N |