3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 5253-0657 |
| Compound Name: | 3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C22 H18 Br N3 O3 S |
| Smiles: | Cc1csc(NC(C(=C/c2ccc(c(c2)[Br])OCCOc2ccccc2)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.08 |
| logD: | 4.03 |
| logSw: | -5.75 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.08 |
| InChI Key: | OANWMCZECKVDAV-UHFFFAOYSA-N |