3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-allyl-5-methoxyphenyl)-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-allyl-5-methoxyphenyl)-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-allyl-5-methoxyphenyl)-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C469-0368 |
| Compound Name: | 3-(4-{2-[4-(acetylamino)phenoxy]ethoxy}-3-allyl-5-methoxyphenyl)-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | CC(Nc1ccc(cc1)OCCOc1c(CC=C)cc(/C=C(/C#N)C(Nc2nc(C)cs2)=O)cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7 |
| logD: | 3.65 |
| logSw: | -5.54 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 174.38 |
| InChI Key: | XCUSSFKEWFCFKZ-UHFFFAOYSA-N |