2-cyano-3-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
2-cyano-3-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0382 |
| Compound Name: | 2-cyano-3-[3-ethoxy-4-(3-phenoxypropoxy)phenyl]-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C25 H25 N3 O5 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)ccc1OCCCOc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8 |
| logD: | 3.28 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.05 |
| InChI Key: | LPITVQIZRDEJCO-UHFFFAOYSA-N |