3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C469-0400 |
| Compound Name: | 3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C27 H29 N5 O5 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCOc2ccc(cc2)NC(C)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.42 |
| logD: | 2.48 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 214.88 |
| InChI Key: | SMXRCAXSYXQIDE-UHFFFAOYSA-N |