3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0085 |
| Compound Name: | 3-{3-allyl-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C27 H27 N3 O5 |
| Smiles: | Cc1ccc(cc1)OCCOc1c(CC=C)cc(/C=C(/C#N)C(Nc2cc(C)on2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.81 |
| logD: | 4.29 |
| logSw: | -6.77 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 170.52 |
| InChI Key: | COGMIBCLMVSYPF-UHFFFAOYSA-N |