3-{3-chloro-5-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{3-chloro-5-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0519 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 497.93 |
| Molecular Formula: | C25 H24 Cl N3 O6 |
| Smiles: | Cc1cc(NC(C(=C/c2cc(c(c(c2)[Cl])OCCCOc2ccccc2OC)OC)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.27 |
| logD: | 3.75 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.65 |
| InChI Key: | DOQKVKUENGFESF-UHFFFAOYSA-N |