3-[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0390 |
| Compound Name: | 3-[3-bromo-5-methoxy-4-(3-phenoxypropoxy)phenyl]-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 512.36 |
| Molecular Formula: | C24 H22 Br N3 O5 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Br])OCCCOc2ccccc2)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.46 |
| logD: | 3.94 |
| logSw: | -6.51 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.95 |
| InChI Key: | LCGQXUHLUMBPFV-UHFFFAOYSA-N |