3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0697 |
| Compound Name: | 3-[3-bromo-4-(2-phenoxyethoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 468.31 |
| Molecular Formula: | C22 H18 Br N3 O4 |
| Smiles: | Cc1cc(NC(C(=C/c2ccc(c(c2)[Br])OCCOc2ccccc2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.97 |
| logD: | 3.45 |
| logSw: | -5.68 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.58 |
| InChI Key: | BNHITQLIQBLSDQ-UHFFFAOYSA-N |